----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:06:18]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.439852031065263 -3.382721415000001 0.000000000000000 b 7.439852031065263 3.382721415000001 0.000000000000000 c -5.491153596930955 0.000000000000000 8.776180364642036 Atomic positions (fractional): *1 O 0.36554051097708 0.22488098485570 0.54643735212821 15.999 2 O 0.77511901514430 0.63445948902293 0.95356264787179 15.999 3 O 0.63445948902292 0.77511901514430 0.45356264787179 15.999 4 O 0.22488098485570 0.36554051097708 0.04643735212821 15.999 *5 O 0.42187571499735 0.41392701361223 0.86217764279830 15.999 6 O 0.58607298638777 0.57812428500265 0.63782235720170 15.999 7 O 0.57812428500265 0.58607298638777 0.13782235720170 15.999 8 O 0.41392701361223 0.42187571499735 0.36217764279830 15.999 *9 O 0.35015374275616 0.04086861046594 0.17349449655866 15.999 10 O 0.95913138953406 0.64984625724384 0.32650550344134 15.999 11 O 0.64984625724384 0.95913138953406 0.82650550344134 15.999 12 O 0.04086861046594 0.35015374275616 0.67349449655866 15.999 *13 O 0.91930629929775 0.11653633766938 0.89928800751130 15.999 14 O 0.88346366233062 0.08069370070225 0.60071199248870 15.999 15 O 0.08069370070225 0.88346366233062 0.10071199248870 15.999 16 O 0.11653633766938 0.91930629929775 0.39928800751130 15.999 *17 O 0.31246765355366 0.91657391527776 0.81848893192516 15.999 18 O 0.08342608472224 0.68753234644634 0.68151106807484 15.999 19 O 0.68753234644634 0.08342608472224 0.18151106807484 15.999 20 O 0.91657391527776 0.31246765355366 0.31848893192516 15.999 *21 Ge 0.40988116180415 0.21926105969468 0.18929837301492 72.640 22 Ge 0.78073894030532 0.59011883819585 0.31070162698508 72.640 23 Ge 0.59011883819585 0.78073894030532 0.81070162698508 72.640 24 Ge 0.21926105969468 0.40988116180415 0.68929837301492 72.640 *25 Dy 0.79257405299016 0.27570346304721 0.46140551441623 162.500 26 Dy 0.72429653695279 0.20742594700984 0.03859448558377 162.500 27 Dy 0.20742594700984 0.72429653695279 0.53859448558377 162.500 28 Dy 0.27570346304721 0.79257405299016 0.96140551441623 162.500 *29 Dy 0.27069542628963 0.00095829854602 0.33465361471001 162.500 30 Dy 0.99904170145398 0.72930457371037 0.16534638528999 162.500 31 Dy 0.72930457371038 0.99904170145398 0.66534638528999 162.500 32 Dy 0.00095829854602 0.27069542628962 0.83465361471001 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.879704062130527 0.000000000000000 0.000000000000000 b 0.000000000000000 6.765442830000001 0.000000000000000 c -5.491153596930955 0.000000000000000 8.776180364642036 Atomic positions (fractional): *1 O 0.79521074791639 0.42967023693931 0.54643735212821 15.999 > 1 2 O 0.20478925208361 0.42967023693931 0.95356264787179 15.999 > 2 3 O 0.20478925208361 0.57032976306069 0.45356264787179 15.999 > 3 4 O 0.79521074791639 0.57032976306069 0.04643735212821 15.999 > 4 *5 O 0.41790136430479 0.99602564930744 0.86217764279830 15.999 > 5 6 O 0.08209863569521 0.49602564930744 0.63782235720170 15.999 > 6 7 O 0.58209863569521 0.00397435069256 0.13782235720170 15.999 > 7 8 O 0.91790136430479 0.50397435069256 0.36217764279830 15.999 > 8 *9 O 0.69551117661105 0.34535743385489 0.17349449655866 15.999 > 9 10 O 0.80448882338895 0.84535743385489 0.32650550344134 15.999 > 10 11 O 0.30448882338895 0.65464256614511 0.82650550344134 15.999 > 11 12 O 0.19551117661105 0.15464256614511 0.67349449655866 15.999 > 12 *13 O 0.01792131848356 0.09861501918581 0.89928800751130 15.999 > 13 14 O 0.98207868151644 0.09861501918581 0.60071199248870 15.999 > 14 15 O 0.98207868151644 0.90138498081419 0.10071199248870 15.999 > 15 16 O 0.01792131848356 0.90138498081419 0.39928800751130 15.999 > 16 *17 O 0.11452078441571 0.80205313086205 0.81848893192516 15.999 > 17 18 O 0.88547921558429 0.80205313086205 0.68151106807484 15.999 > 18 19 O 0.88547921558429 0.19794686913795 0.18151106807484 15.999 > 19 20 O 0.11452078441571 0.19794686913795 0.31848893192516 15.999 > 20 21 O 0.29521074791639 0.92967023693931 0.54643735212821 15.999 > 1 22 O 0.70478925208361 0.92967023693931 0.95356264787179 15.999 > 2 23 O 0.70478925208361 0.07032976306069 0.45356264787179 15.999 > 3 24 O 0.29521074791639 0.07032976306069 0.04643735212821 15.999 > 4 25 O 0.91790136430479 0.49602564930744 0.86217764279830 15.999 > 5 26 O 0.58209863569521 0.99602564930744 0.63782235720170 15.999 > 6 27 O 0.08209863569521 0.50397435069256 0.13782235720170 15.999 > 7 28 O 0.41790136430479 0.00397435069256 0.36217764279830 15.999 > 8 29 O 0.19551117661105 0.84535743385489 0.17349449655866 15.999 > 9 30 O 0.30448882338895 0.34535743385489 0.32650550344134 15.999 > 10 31 O 0.80448882338895 0.15464256614511 0.82650550344134 15.999 > 11 32 O 0.69551117661105 0.65464256614511 0.67349449655866 15.999 > 12 33 O 0.51792131848356 0.59861501918581 0.89928800751130 15.999 > 13 34 O 0.48207868151644 0.59861501918581 0.60071199248870 15.999 > 14 35 O 0.48207868151644 0.40138498081419 0.10071199248870 15.999 > 15 36 O 0.51792131848356 0.40138498081419 0.39928800751130 15.999 > 16 37 O 0.61452078441571 0.30205313086205 0.81848893192516 15.999 > 17 38 O 0.38547921558429 0.30205313086205 0.68151106807484 15.999 > 18 39 O 0.38547921558429 0.69794686913795 0.18151106807484 15.999 > 19 40 O 0.61452078441571 0.69794686913795 0.31848893192516 15.999 > 20 *41 Ge 0.81457111074942 0.40468994894526 0.18929837301492 72.640 > 21 42 Ge 0.68542888925058 0.90468994894526 0.31070162698508 72.640 > 22 43 Ge 0.18542888925058 0.59531005105474 0.81070162698508 72.640 > 23 44 Ge 0.31457111074942 0.09531005105474 0.68929837301492 72.640 > 24 45 Ge 0.31457111074942 0.90468994894526 0.18929837301492 72.640 > 21 46 Ge 0.18542888925058 0.40468994894526 0.31070162698508 72.640 > 22 47 Ge 0.68542888925058 0.09531005105474 0.81070162698508 72.640 > 23 48 Ge 0.81457111074942 0.59531005105474 0.68929837301492 72.640 > 24 *49 Dy 0.03413875801869 0.24156470502852 0.46140551441623 162.500 > 25 50 Dy 0.96586124198131 0.24156470502852 0.03859448558377 162.500 > 26 51 Dy 0.96586124198131 0.75843529497148 0.53859448558377 162.500 > 27 52 Dy 0.03413875801869 0.75843529497148 0.96140551441623 162.500 > 28 *53 Dy 0.13582686241782 0.86513143612820 0.33465361471001 162.500 > 29 54 Dy 0.86417313758218 0.86513143612820 0.16534638528999 162.500 > 30 55 Dy 0.86417313758218 0.13486856387180 0.66534638528999 162.500 > 31 56 Dy 0.13582686241782 0.13486856387180 0.83465361471001 162.500 > 32 57 Dy 0.53413875801869 0.74156470502852 0.46140551441623 162.500 > 25 58 Dy 0.46586124198131 0.74156470502852 0.03859448558377 162.500 > 26 59 Dy 0.46586124198131 0.25843529497148 0.53859448558377 162.500 > 27 60 Dy 0.53413875801869 0.25843529497148 0.96140551441623 162.500 > 28 61 Dy 0.63582686241782 0.36513143612820 0.33465361471001 162.500 > 29 62 Dy 0.36417313758218 0.36513143612820 0.16534638528999 162.500 > 30 63 Dy 0.36417313758218 0.63486856387180 0.66534638528999 162.500 > 31 64 Dy 0.63582686241782 0.63486856387180 0.83465361471001 162.500 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.879704062130527 0.000000000000000 0.000000000000000 b 0.000000000000000 13.530885660000003 0.000000000000000 c -5.491153596930955 0.000000000000000 8.776180364642036 Atomic positions (fractional): *1 O 0.79521074791639 0.21483511846966 0.54643735212821 15.999 > 1 2 O 0.79521074791639 0.71483511846966 0.54643735212821 15.999 > 1 3 O 0.20478925208361 0.21483511846966 0.95356264787179 15.999 > 2 4 O 0.20478925208361 0.71483511846966 0.95356264787179 15.999 > 2 5 O 0.20478925208361 0.28516488153034 0.45356264787179 15.999 > 3 6 O 0.20478925208361 0.78516488153034 0.45356264787179 15.999 > 3 7 O 0.79521074791639 0.28516488153034 0.04643735212821 15.999 > 4 8 O 0.79521074791639 0.78516488153034 0.04643735212821 15.999 > 4 *9 O 0.41790136430479 0.49801282465372 0.86217764279830 15.999 > 5 10 O 0.41790136430479 0.99801282465372 0.86217764279830 15.999 > 5 11 O 0.08209863569521 0.24801282465372 0.63782235720170 15.999 > 6 12 O 0.08209863569521 0.74801282465372 0.63782235720170 15.999 > 6 13 O 0.58209863569521 0.00198717534628 0.13782235720170 15.999 > 7 14 O 0.58209863569521 0.50198717534628 0.13782235720170 15.999 > 7 15 O 0.91790136430479 0.25198717534628 0.36217764279830 15.999 > 8 16 O 0.91790136430479 0.75198717534628 0.36217764279830 15.999 > 8 *17 O 0.69551117661105 0.17267871692744 0.17349449655866 15.999 > 9 18 O 0.69551117661105 0.67267871692744 0.17349449655866 15.999 > 9 19 O 0.80448882338895 0.42267871692744 0.32650550344134 15.999 > 10 20 O 0.80448882338895 0.92267871692744 0.32650550344134 15.999 > 10 21 O 0.30448882338895 0.32732128307256 0.82650550344134 15.999 > 11 22 O 0.30448882338895 0.82732128307256 0.82650550344134 15.999 > 11 23 O 0.19551117661105 0.07732128307256 0.67349449655866 15.999 > 12 24 O 0.19551117661105 0.57732128307256 0.67349449655866 15.999 > 12 *25 O 0.01792131848356 0.04930750959291 0.89928800751130 15.999 > 13 26 O 0.01792131848356 0.54930750959291 0.89928800751130 15.999 > 13 27 O 0.98207868151644 0.04930750959291 0.60071199248870 15.999 > 14 28 O 0.98207868151644 0.54930750959291 0.60071199248870 15.999 > 14 29 O 0.98207868151644 0.45069249040709 0.10071199248870 15.999 > 15 30 O 0.98207868151644 0.95069249040709 0.10071199248870 15.999 > 15 31 O 0.01792131848356 0.45069249040709 0.39928800751130 15.999 > 16 32 O 0.01792131848356 0.95069249040709 0.39928800751130 15.999 > 16 *33 O 0.11452078441571 0.40102656543103 0.81848893192516 15.999 > 17 34 O 0.11452078441571 0.90102656543103 0.81848893192516 15.999 > 17 35 O 0.88547921558429 0.40102656543103 0.68151106807484 15.999 > 18 36 O 0.88547921558429 0.90102656543103 0.68151106807484 15.999 > 18 37 O 0.88547921558429 0.09897343456897 0.18151106807484 15.999 > 19 38 O 0.88547921558429 0.59897343456897 0.18151106807484 15.999 > 19 39 O 0.11452078441571 0.09897343456897 0.31848893192516 15.999 > 20 40 O 0.11452078441571 0.59897343456897 0.31848893192516 15.999 > 20 41 O 0.29521074791639 0.46483511846966 0.54643735212821 15.999 > 1 42 O 0.29521074791639 0.96483511846966 0.54643735212821 15.999 > 1 43 O 0.70478925208361 0.46483511846966 0.95356264787179 15.999 > 2 44 O 0.70478925208361 0.96483511846966 0.95356264787179 15.999 > 2 45 O 0.70478925208361 0.03516488153034 0.45356264787179 15.999 > 3 46 O 0.70478925208361 0.53516488153034 0.45356264787179 15.999 > 3 47 O 0.29521074791639 0.03516488153034 0.04643735212821 15.999 > 4 48 O 0.29521074791639 0.53516488153034 0.04643735212821 15.999 > 4 49 O 0.91790136430479 0.24801282465372 0.86217764279830 15.999 > 5 50 O 0.91790136430479 0.74801282465372 0.86217764279830 15.999 > 5 51 O 0.58209863569521 0.49801282465372 0.63782235720170 15.999 > 6 52 O 0.58209863569521 0.99801282465372 0.63782235720170 15.999 > 6 53 O 0.08209863569521 0.25198717534628 0.13782235720170 15.999 > 7 54 O 0.08209863569521 0.75198717534628 0.13782235720170 15.999 > 7 55 O 0.41790136430479 0.00198717534628 0.36217764279830 15.999 > 8 56 O 0.41790136430479 0.50198717534628 0.36217764279830 15.999 > 8 57 O 0.19551117661105 0.42267871692744 0.17349449655866 15.999 > 9 58 O 0.19551117661105 0.92267871692744 0.17349449655866 15.999 > 9 59 O 0.30448882338895 0.17267871692744 0.32650550344134 15.999 > 10 60 O 0.30448882338895 0.67267871692744 0.32650550344134 15.999 > 10 61 O 0.80448882338895 0.07732128307256 0.82650550344134 15.999 > 11 62 O 0.80448882338895 0.57732128307256 0.82650550344134 15.999 > 11 63 O 0.69551117661105 0.32732128307256 0.67349449655866 15.999 > 12 64 O 0.69551117661105 0.82732128307256 0.67349449655866 15.999 > 12 65 O 0.51792131848356 0.29930750959291 0.89928800751130 15.999 > 13 66 O 0.51792131848356 0.79930750959291 0.89928800751130 15.999 > 13 67 O 0.48207868151644 0.29930750959291 0.60071199248870 15.999 > 14 68 O 0.48207868151644 0.79930750959291 0.60071199248870 15.999 > 14 69 O 0.48207868151644 0.20069249040709 0.10071199248870 15.999 > 15 70 O 0.48207868151644 0.70069249040709 0.10071199248870 15.999 > 15 71 O 0.51792131848356 0.20069249040709 0.39928800751130 15.999 > 16 72 O 0.51792131848356 0.70069249040709 0.39928800751130 15.999 > 16 73 O 0.61452078441571 0.15102656543103 0.81848893192516 15.999 > 17 74 O 0.61452078441571 0.65102656543103 0.81848893192516 15.999 > 17 75 O 0.38547921558429 0.15102656543103 0.68151106807484 15.999 > 18 76 O 0.38547921558429 0.65102656543103 0.68151106807484 15.999 > 18 77 O 0.38547921558429 0.34897343456897 0.18151106807484 15.999 > 19 78 O 0.38547921558429 0.84897343456897 0.18151106807484 15.999 > 19 79 O 0.61452078441571 0.34897343456897 0.31848893192516 15.999 > 20 80 O 0.61452078441571 0.84897343456897 0.31848893192516 15.999 > 20 *81 Ge 0.81457111074942 0.20234497447263 0.18929837301492 72.640 > 21 82 Ge 0.81457111074942 0.70234497447263 0.18929837301492 72.640 > 21 83 Ge 0.68542888925058 0.45234497447263 0.31070162698508 72.640 > 22 84 Ge 0.68542888925058 0.95234497447263 0.31070162698508 72.640 > 22 85 Ge 0.18542888925058 0.29765502552737 0.81070162698508 72.640 > 23 86 Ge 0.18542888925058 0.79765502552737 0.81070162698508 72.640 > 23 87 Ge 0.31457111074942 0.04765502552737 0.68929837301492 72.640 > 24 88 Ge 0.31457111074942 0.54765502552737 0.68929837301492 72.640 > 24 89 Ge 0.31457111074942 0.45234497447263 0.18929837301492 72.640 > 21 90 Ge 0.31457111074942 0.95234497447263 0.18929837301492 72.640 > 21 91 Ge 0.18542888925058 0.20234497447263 0.31070162698508 72.640 > 22 92 Ge 0.18542888925058 0.70234497447263 0.31070162698508 72.640 > 22 93 Ge 0.68542888925058 0.04765502552737 0.81070162698508 72.640 > 23 94 Ge 0.68542888925058 0.54765502552737 0.81070162698508 72.640 > 23 95 Ge 0.81457111074942 0.29765502552737 0.68929837301492 72.640 > 24 96 Ge 0.81457111074942 0.79765502552737 0.68929837301492 72.640 > 24 *97 Dy 0.03413875801869 0.12078235251426 0.46140551441623 162.500 > 25 98 Dy 0.03413875801869 0.62078235251426 0.46140551441623 162.500 > 25 99 Dy 0.96586124198131 0.12078235251426 0.03859448558377 162.500 > 26 100 Dy 0.96586124198131 0.62078235251426 0.03859448558377 162.500 > 26 101 Dy 0.96586124198131 0.37921764748574 0.53859448558377 162.500 > 27 102 Dy 0.96586124198131 0.87921764748574 0.53859448558377 162.500 > 27 103 Dy 0.03413875801869 0.37921764748574 0.96140551441623 162.500 > 28 104 Dy 0.03413875801869 0.87921764748574 0.96140551441623 162.500 > 28 *105 Dy 0.13582686241782 0.43256571806410 0.33465361471001 162.500 > 29 106 Dy 0.13582686241782 0.93256571806410 0.33465361471001 162.500 > 29 107 Dy 0.86417313758218 0.43256571806410 0.16534638528999 162.500 > 30 108 Dy 0.86417313758218 0.93256571806410 0.16534638528999 162.500 > 30 109 Dy 0.86417313758218 0.06743428193590 0.66534638528999 162.500 > 31 110 Dy 0.86417313758218 0.56743428193590 0.66534638528999 162.500 > 31 111 Dy 0.13582686241782 0.06743428193590 0.83465361471001 162.500 > 32 112 Dy 0.13582686241782 0.56743428193590 0.83465361471001 162.500 > 32 113 Dy 0.53413875801869 0.37078235251426 0.46140551441623 162.500 > 25 114 Dy 0.53413875801869 0.87078235251426 0.46140551441623 162.500 > 25 115 Dy 0.46586124198131 0.37078235251426 0.03859448558377 162.500 > 26 116 Dy 0.46586124198131 0.87078235251426 0.03859448558377 162.500 > 26 117 Dy 0.46586124198131 0.12921764748574 0.53859448558377 162.500 > 27 118 Dy 0.46586124198131 0.62921764748574 0.53859448558377 162.500 > 27 119 Dy 0.53413875801869 0.12921764748574 0.96140551441623 162.500 > 28 120 Dy 0.53413875801869 0.62921764748574 0.96140551441623 162.500 > 28 121 Dy 0.63582686241782 0.18256571806410 0.33465361471001 162.500 > 29 122 Dy 0.63582686241782 0.68256571806410 0.33465361471001 162.500 > 29 123 Dy 0.36417313758218 0.18256571806410 0.16534638528999 162.500 > 30 124 Dy 0.36417313758218 0.68256571806410 0.16534638528999 162.500 > 30 125 Dy 0.36417313758218 0.31743428193590 0.66534638528999 162.500 > 31 126 Dy 0.36417313758218 0.81743428193590 0.66534638528999 162.500 > 31 127 Dy 0.63582686241782 0.31743428193590 0.83465361471001 162.500 > 32 128 Dy 0.63582686241782 0.81743428193590 0.83465361471001 162.500 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8303559 0.0000000 0.0216156 0.0000000 3.7424263 0.0000000 0.0216098 0.0000000 3.8129915 -------------------------- Born effective charges -------------------------- 1 O -1.5035111 0.1985449 -0.3591690 0.2070441 -2.3322073 -0.1853099 -0.3434744 -0.3142832 -2.4213555 2 O -1.5035111 -0.1985449 -0.3591690 -0.2070441 -2.3322073 0.1853099 -0.3434744 0.3142832 -2.4213555 3 O -1.5035111 0.1985449 -0.3591690 0.2070441 -2.3322073 -0.1853099 -0.3434744 -0.3142832 -2.4213555 4 O -1.5035111 -0.1985449 -0.3591690 -0.2070441 -2.3322073 0.1853099 -0.3434744 0.3142832 -2.4213555 5 O -1.4473687 -0.3263934 -0.3742190 -0.2548747 -2.4077141 0.3573666 -0.4083135 0.2534447 -2.3454087 6 O -1.4473687 0.3263934 -0.3742190 0.2548747 -2.4077141 -0.3573666 -0.4083135 -0.2534447 -2.3454087 7 O -1.4473687 -0.3263934 -0.3742190 -0.2548747 -2.4077141 0.3573666 -0.4083135 0.2534447 -2.3454087 8 O -1.4473687 0.3263934 -0.3742190 0.2548747 -2.4077141 -0.3573666 -0.4083135 -0.2534447 -2.3454087 9 O -3.0058672 -0.2754010 0.0175794 -0.3369959 -1.3320163 -0.1945448 -0.0382244 -0.1550173 -1.9580038 10 O -3.0058672 0.2754010 0.0175794 0.3369959 -1.3320163 0.1945448 -0.0382244 0.1550173 -1.9580038 11 O -3.0058672 -0.2754010 0.0175794 -0.3369959 -1.3320163 -0.1945448 -0.0382244 -0.1550173 -1.9580038 12 O -3.0058672 0.2754010 0.0175794 0.3369959 -1.3320163 0.1945448 -0.0382244 0.1550173 -1.9580038 13 O -2.9332953 0.2140392 0.4433803 0.2915507 -2.0999453 -0.0264227 0.4632368 0.1158660 -2.3580782 14 O -2.9332953 -0.2140392 0.4433803 -0.2915507 -2.0999453 0.0264227 0.4632368 -0.1158660 -2.3580782 15 O -2.9332953 0.2140392 0.4433803 0.2915507 -2.0999453 -0.0264227 0.4632368 0.1158660 -2.3580782 16 O -2.9332953 -0.2140392 0.4433803 -0.2915507 -2.0999453 0.0264227 0.4632368 -0.1158660 -2.3580782 17 O -2.0458129 0.3529165 0.1667955 0.4383876 -2.5389149 -0.1322165 0.2062704 -0.1555564 -1.8783056 18 O -2.0458129 -0.3529165 0.1667955 -0.4383876 -2.5389149 0.1322165 0.2062704 0.1555564 -1.8783056 19 O -2.0458129 0.3529165 0.1667955 0.4383876 -2.5389149 -0.1322165 0.2062704 -0.1555564 -1.8783056 20 O -2.0458129 -0.3529165 0.1667955 -0.4383876 -2.5389149 0.1322165 0.2062704 0.1555564 -1.8783056 21 Ge 3.4935711 -0.1280038 0.2864601 -0.0344218 3.1900094 -0.0838239 0.1715721 -0.0011988 3.1025509 22 Ge 3.4935711 0.1280038 0.2864601 0.0344218 3.1900094 0.0838239 0.1715721 0.0011988 3.1025509 23 Ge 3.4935711 -0.1280038 0.2864601 -0.0344218 3.1900094 -0.0838239 0.1715721 -0.0011988 3.1025509 24 Ge 3.4935711 0.1280038 0.2864601 0.0344218 3.1900094 0.0838239 0.1715721 0.0011988 3.1025509 25 Dy 3.4603453 -0.1566162 -0.1163889 -0.1142943 3.7724639 -0.0818315 -0.2823239 0.0232703 4.0606623 26 Dy 3.4603453 0.1566162 -0.1163889 0.1142943 3.7724639 0.0818315 -0.2823239 -0.0232703 4.0606623 27 Dy 3.4603453 -0.1566162 -0.1163889 -0.1142943 3.7724639 -0.0818315 -0.2823239 0.0232703 4.0606623 28 Dy 3.4603453 0.1566162 -0.1163889 0.1142943 3.7724639 0.0818315 -0.2823239 -0.0232703 4.0606623 29 Dy 3.9819388 -0.4778910 -0.0644384 -0.4479682 3.7483246 -0.1749572 0.2312569 -0.0863615 3.7979386 30 Dy 3.9819388 0.4778910 -0.0644384 0.4479682 3.7483246 0.1749572 0.2312569 0.0863615 3.7979386 31 Dy 3.9819388 -0.4778910 -0.0644384 -0.4479682 3.7483246 -0.1749572 0.2312569 -0.0863615 3.7979386 32 Dy 3.9819388 0.4778910 -0.0644384 0.4479682 3.7483246 0.1749572 0.2312569 0.0863615 3.7979386 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 960 - Time: 1.556 Solver_block: 200 / 960 - Time: 1.452 Solver_block: 300 / 960 - Time: 1.454 Solver_block: 400 / 960 - Time: 1.454 Solver_block: 500 / 960 - Time: 1.448 Solver_block: 600 / 960 - Time: 1.452 Solver_block: 700 / 960 - Time: 1.453 Solver_block: 800 / 960 - Time: 1.454 Solver_block: 900 / 960 - Time: 1.451 Solver_block: 960 / 960 - Time: 0.929 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 14.462 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:07:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:07:25]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.439852031065263 -3.382721415000001 0.000000000000000 b 7.439852031065263 3.382721415000001 0.000000000000000 c -5.491153596930955 0.000000000000000 8.776180364642036 Atomic positions (fractional): 1 O 0.36554051097708 0.22488098485570 0.54643735212821 15.999 2 O 0.77511901514430 0.63445948902293 0.95356264787179 15.999 3 O 0.63445948902292 0.77511901514430 0.45356264787179 15.999 4 O 0.22488098485570 0.36554051097708 0.04643735212821 15.999 5 O 0.42187571499735 0.41392701361223 0.86217764279830 15.999 6 O 0.58607298638777 0.57812428500265 0.63782235720170 15.999 7 O 0.57812428500265 0.58607298638777 0.13782235720170 15.999 8 O 0.41392701361223 0.42187571499735 0.36217764279830 15.999 9 O 0.35015374275616 0.04086861046594 0.17349449655866 15.999 10 O 0.95913138953406 0.64984625724384 0.32650550344134 15.999 11 O 0.64984625724384 0.95913138953406 0.82650550344134 15.999 12 O 0.04086861046594 0.35015374275616 0.67349449655866 15.999 13 O 0.91930629929775 0.11653633766938 0.89928800751130 15.999 14 O 0.88346366233062 0.08069370070225 0.60071199248870 15.999 15 O 0.08069370070225 0.88346366233062 0.10071199248870 15.999 16 O 0.11653633766938 0.91930629929775 0.39928800751130 15.999 17 O 0.31246765355366 0.91657391527776 0.81848893192516 15.999 18 O 0.08342608472224 0.68753234644634 0.68151106807484 15.999 19 O 0.68753234644634 0.08342608472224 0.18151106807484 15.999 20 O 0.91657391527776 0.31246765355366 0.31848893192516 15.999 21 Ge 0.40988116180415 0.21926105969468 0.18929837301492 72.640 22 Ge 0.78073894030532 0.59011883819585 0.31070162698508 72.640 23 Ge 0.59011883819585 0.78073894030532 0.81070162698508 72.640 24 Ge 0.21926105969468 0.40988116180415 0.68929837301492 72.640 25 Dy 0.79257405299016 0.27570346304721 0.46140551441623 162.500 26 Dy 0.72429653695279 0.20742594700984 0.03859448558377 162.500 27 Dy 0.20742594700984 0.72429653695279 0.53859448558377 162.500 28 Dy 0.27570346304721 0.79257405299016 0.96140551441623 162.500 29 Dy 0.27069542628963 0.00095829854602 0.33465361471001 162.500 30 Dy 0.99904170145398 0.72930457371037 0.16534638528999 162.500 31 Dy 0.72930457371038 0.99904170145398 0.66534638528999 162.500 32 Dy 0.00095829854602 0.27069542628962 0.83465361471001 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.879704062130527 0.000000000000000 0.000000000000000 b 0.000000000000000 13.530885660000003 0.000000000000000 c -5.491153596930955 0.000000000000000 8.776180364642036 Atomic positions (fractional): 1 O 0.79521074791639 0.21483511846966 0.54643735212821 15.999 > 1 2 O 0.79521074791639 0.71483511846966 0.54643735212821 15.999 > 1 3 O 0.20478925208361 0.21483511846966 0.95356264787179 15.999 > 3 4 O 0.20478925208361 0.71483511846966 0.95356264787179 15.999 > 3 5 O 0.20478925208361 0.28516488153034 0.45356264787179 15.999 > 5 6 O 0.20478925208361 0.78516488153034 0.45356264787179 15.999 > 5 7 O 0.79521074791639 0.28516488153034 0.04643735212821 15.999 > 7 8 O 0.79521074791639 0.78516488153034 0.04643735212821 15.999 > 7 9 O 0.41790136430479 0.49801282465372 0.86217764279830 15.999 > 9 10 O 0.41790136430479 0.99801282465372 0.86217764279830 15.999 > 9 11 O 0.08209863569521 0.24801282465372 0.63782235720170 15.999 > 11 12 O 0.08209863569521 0.74801282465372 0.63782235720170 15.999 > 11 13 O 0.58209863569521 0.00198717534628 0.13782235720170 15.999 > 13 14 O 0.58209863569521 0.50198717534628 0.13782235720170 15.999 > 13 15 O 0.91790136430479 0.25198717534628 0.36217764279830 15.999 > 15 16 O 0.91790136430479 0.75198717534628 0.36217764279830 15.999 > 15 17 O 0.69551117661105 0.17267871692744 0.17349449655866 15.999 > 17 18 O 0.69551117661105 0.67267871692744 0.17349449655866 15.999 > 17 19 O 0.80448882338895 0.42267871692744 0.32650550344134 15.999 > 19 20 O 0.80448882338895 0.92267871692744 0.32650550344134 15.999 > 19 21 O 0.30448882338895 0.32732128307256 0.82650550344134 15.999 > 21 22 O 0.30448882338895 0.82732128307256 0.82650550344134 15.999 > 21 23 O 0.19551117661105 0.07732128307256 0.67349449655866 15.999 > 23 24 O 0.19551117661105 0.57732128307256 0.67349449655866 15.999 > 23 25 O 0.01792131848356 0.04930750959291 0.89928800751130 15.999 > 25 26 O 0.01792131848356 0.54930750959291 0.89928800751130 15.999 > 25 27 O 0.98207868151644 0.04930750959291 0.60071199248870 15.999 > 27 28 O 0.98207868151644 0.54930750959291 0.60071199248870 15.999 > 27 29 O 0.98207868151644 0.45069249040709 0.10071199248870 15.999 > 29 30 O 0.98207868151644 0.95069249040709 0.10071199248870 15.999 > 29 31 O 0.01792131848356 0.45069249040709 0.39928800751130 15.999 > 31 32 O 0.01792131848356 0.95069249040709 0.39928800751130 15.999 > 31 33 O 0.11452078441571 0.40102656543103 0.81848893192516 15.999 > 33 34 O 0.11452078441571 0.90102656543103 0.81848893192516 15.999 > 33 35 O 0.88547921558429 0.40102656543103 0.68151106807484 15.999 > 35 36 O 0.88547921558429 0.90102656543103 0.68151106807484 15.999 > 35 37 O 0.88547921558429 0.09897343456897 0.18151106807484 15.999 > 37 38 O 0.88547921558429 0.59897343456897 0.18151106807484 15.999 > 37 39 O 0.11452078441571 0.09897343456897 0.31848893192516 15.999 > 39 40 O 0.11452078441571 0.59897343456897 0.31848893192516 15.999 > 39 41 O 0.29521074791639 0.46483511846966 0.54643735212821 15.999 > 1 42 O 0.29521074791639 0.96483511846966 0.54643735212821 15.999 > 1 43 O 0.70478925208361 0.46483511846966 0.95356264787179 15.999 > 3 44 O 0.70478925208361 0.96483511846966 0.95356264787179 15.999 > 3 45 O 0.70478925208361 0.03516488153034 0.45356264787179 15.999 > 5 46 O 0.70478925208361 0.53516488153034 0.45356264787179 15.999 > 5 47 O 0.29521074791639 0.03516488153034 0.04643735212821 15.999 > 7 48 O 0.29521074791639 0.53516488153034 0.04643735212821 15.999 > 7 49 O 0.91790136430479 0.24801282465372 0.86217764279830 15.999 > 9 50 O 0.91790136430479 0.74801282465372 0.86217764279830 15.999 > 9 51 O 0.58209863569521 0.49801282465372 0.63782235720170 15.999 > 11 52 O 0.58209863569521 0.99801282465372 0.63782235720170 15.999 > 11 53 O 0.08209863569521 0.25198717534628 0.13782235720170 15.999 > 13 54 O 0.08209863569521 0.75198717534628 0.13782235720170 15.999 > 13 55 O 0.41790136430479 0.00198717534628 0.36217764279830 15.999 > 15 56 O 0.41790136430479 0.50198717534628 0.36217764279830 15.999 > 15 57 O 0.19551117661105 0.42267871692744 0.17349449655866 15.999 > 17 58 O 0.19551117661105 0.92267871692744 0.17349449655866 15.999 > 17 59 O 0.30448882338895 0.17267871692744 0.32650550344134 15.999 > 19 60 O 0.30448882338895 0.67267871692744 0.32650550344134 15.999 > 19 61 O 0.80448882338895 0.07732128307256 0.82650550344134 15.999 > 21 62 O 0.80448882338895 0.57732128307256 0.82650550344134 15.999 > 21 63 O 0.69551117661105 0.32732128307256 0.67349449655866 15.999 > 23 64 O 0.69551117661105 0.82732128307256 0.67349449655866 15.999 > 23 65 O 0.51792131848356 0.29930750959291 0.89928800751130 15.999 > 25 66 O 0.51792131848356 0.79930750959291 0.89928800751130 15.999 > 25 67 O 0.48207868151644 0.29930750959291 0.60071199248870 15.999 > 27 68 O 0.48207868151644 0.79930750959291 0.60071199248870 15.999 > 27 69 O 0.48207868151644 0.20069249040709 0.10071199248870 15.999 > 29 70 O 0.48207868151644 0.70069249040709 0.10071199248870 15.999 > 29 71 O 0.51792131848356 0.20069249040709 0.39928800751130 15.999 > 31 72 O 0.51792131848356 0.70069249040709 0.39928800751130 15.999 > 31 73 O 0.61452078441571 0.15102656543103 0.81848893192516 15.999 > 33 74 O 0.61452078441571 0.65102656543103 0.81848893192516 15.999 > 33 75 O 0.38547921558429 0.15102656543103 0.68151106807484 15.999 > 35 76 O 0.38547921558429 0.65102656543103 0.68151106807484 15.999 > 35 77 O 0.38547921558429 0.34897343456897 0.18151106807484 15.999 > 37 78 O 0.38547921558429 0.84897343456897 0.18151106807484 15.999 > 37 79 O 0.61452078441571 0.34897343456897 0.31848893192516 15.999 > 39 80 O 0.61452078441571 0.84897343456897 0.31848893192516 15.999 > 39 81 Ge 0.81457111074942 0.20234497447263 0.18929837301492 72.640 > 81 82 Ge 0.81457111074942 0.70234497447263 0.18929837301492 72.640 > 81 83 Ge 0.68542888925058 0.45234497447263 0.31070162698508 72.640 > 83 84 Ge 0.68542888925058 0.95234497447263 0.31070162698508 72.640 > 83 85 Ge 0.18542888925058 0.29765502552737 0.81070162698508 72.640 > 85 86 Ge 0.18542888925058 0.79765502552737 0.81070162698508 72.640 > 85 87 Ge 0.31457111074942 0.04765502552737 0.68929837301492 72.640 > 87 88 Ge 0.31457111074942 0.54765502552737 0.68929837301492 72.640 > 87 89 Ge 0.31457111074942 0.45234497447263 0.18929837301492 72.640 > 81 90 Ge 0.31457111074942 0.95234497447263 0.18929837301492 72.640 > 81 91 Ge 0.18542888925058 0.20234497447263 0.31070162698508 72.640 > 83 92 Ge 0.18542888925058 0.70234497447263 0.31070162698508 72.640 > 83 93 Ge 0.68542888925058 0.04765502552737 0.81070162698508 72.640 > 85 94 Ge 0.68542888925058 0.54765502552737 0.81070162698508 72.640 > 85 95 Ge 0.81457111074942 0.29765502552737 0.68929837301492 72.640 > 87 96 Ge 0.81457111074942 0.79765502552737 0.68929837301492 72.640 > 87 97 Dy 0.03413875801869 0.12078235251426 0.46140551441623 162.500 > 97 98 Dy 0.03413875801869 0.62078235251426 0.46140551441623 162.500 > 97 99 Dy 0.96586124198131 0.12078235251426 0.03859448558377 162.500 > 99 100 Dy 0.96586124198131 0.62078235251426 0.03859448558377 162.500 > 99 101 Dy 0.96586124198131 0.37921764748574 0.53859448558377 162.500 > 101 102 Dy 0.96586124198131 0.87921764748574 0.53859448558377 162.500 > 101 103 Dy 0.03413875801869 0.37921764748574 0.96140551441623 162.500 > 103 104 Dy 0.03413875801869 0.87921764748574 0.96140551441623 162.500 > 103 105 Dy 0.13582686241782 0.43256571806410 0.33465361471001 162.500 > 105 106 Dy 0.13582686241782 0.93256571806410 0.33465361471001 162.500 > 105 107 Dy 0.86417313758218 0.43256571806410 0.16534638528999 162.500 > 107 108 Dy 0.86417313758218 0.93256571806410 0.16534638528999 162.500 > 107 109 Dy 0.86417313758218 0.06743428193590 0.66534638528999 162.500 > 109 110 Dy 0.86417313758218 0.56743428193590 0.66534638528999 162.500 > 109 111 Dy 0.13582686241782 0.06743428193590 0.83465361471001 162.500 > 111 112 Dy 0.13582686241782 0.56743428193590 0.83465361471001 162.500 > 111 113 Dy 0.53413875801869 0.37078235251426 0.46140551441623 162.500 > 97 114 Dy 0.53413875801869 0.87078235251426 0.46140551441623 162.500 > 97 115 Dy 0.46586124198131 0.37078235251426 0.03859448558377 162.500 > 99 116 Dy 0.46586124198131 0.87078235251426 0.03859448558377 162.500 > 99 117 Dy 0.46586124198131 0.12921764748574 0.53859448558377 162.500 > 101 118 Dy 0.46586124198131 0.62921764748574 0.53859448558377 162.500 > 101 119 Dy 0.53413875801869 0.12921764748574 0.96140551441623 162.500 > 103 120 Dy 0.53413875801869 0.62921764748574 0.96140551441623 162.500 > 103 121 Dy 0.63582686241782 0.18256571806410 0.33465361471001 162.500 > 105 122 Dy 0.63582686241782 0.68256571806410 0.33465361471001 162.500 > 105 123 Dy 0.36417313758218 0.18256571806410 0.16534638528999 162.500 > 107 124 Dy 0.36417313758218 0.68256571806410 0.16534638528999 162.500 > 107 125 Dy 0.36417313758218 0.31743428193590 0.66534638528999 162.500 > 109 126 Dy 0.36417313758218 0.81743428193590 0.66534638528999 162.500 > 109 127 Dy 0.63582686241782 0.31743428193590 0.83465361471001 162.500 > 111 128 Dy 0.63582686241782 0.81743428193590 0.83465361471001 162.500 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8303559 0.0000000 0.0216156 0.0000000 3.7424263 0.0000000 0.0216098 0.0000000 3.8129915 -------------------------- Born effective charges -------------------------- 1 O -1.5035111 0.1985449 -0.3591690 0.2070441 -2.3322073 -0.1853099 -0.3434744 -0.3142832 -2.4213555 2 O -1.5035111 -0.1985449 -0.3591690 -0.2070441 -2.3322073 0.1853099 -0.3434744 0.3142832 -2.4213555 3 O -1.5035111 0.1985449 -0.3591690 0.2070441 -2.3322073 -0.1853099 -0.3434744 -0.3142832 -2.4213555 4 O -1.5035111 -0.1985449 -0.3591690 -0.2070441 -2.3322073 0.1853099 -0.3434744 0.3142832 -2.4213555 5 O -1.4473687 -0.3263934 -0.3742190 -0.2548747 -2.4077141 0.3573666 -0.4083135 0.2534447 -2.3454087 6 O -1.4473687 0.3263934 -0.3742190 0.2548747 -2.4077141 -0.3573666 -0.4083135 -0.2534447 -2.3454087 7 O -1.4473687 -0.3263934 -0.3742190 -0.2548747 -2.4077141 0.3573666 -0.4083135 0.2534447 -2.3454087 8 O -1.4473687 0.3263934 -0.3742190 0.2548747 -2.4077141 -0.3573666 -0.4083135 -0.2534447 -2.3454087 9 O -3.0058672 -0.2754010 0.0175794 -0.3369959 -1.3320163 -0.1945448 -0.0382244 -0.1550173 -1.9580038 10 O -3.0058672 0.2754010 0.0175794 0.3369959 -1.3320163 0.1945448 -0.0382244 0.1550173 -1.9580038 11 O -3.0058672 -0.2754010 0.0175794 -0.3369959 -1.3320163 -0.1945448 -0.0382244 -0.1550173 -1.9580038 12 O -3.0058672 0.2754010 0.0175794 0.3369959 -1.3320163 0.1945448 -0.0382244 0.1550173 -1.9580038 13 O -2.9332953 0.2140392 0.4433803 0.2915507 -2.0999453 -0.0264227 0.4632368 0.1158660 -2.3580782 14 O -2.9332953 -0.2140392 0.4433803 -0.2915507 -2.0999453 0.0264227 0.4632368 -0.1158660 -2.3580782 15 O -2.9332953 0.2140392 0.4433803 0.2915507 -2.0999453 -0.0264227 0.4632368 0.1158660 -2.3580782 16 O -2.9332953 -0.2140392 0.4433803 -0.2915507 -2.0999453 0.0264227 0.4632368 -0.1158660 -2.3580782 17 O -2.0458129 0.3529165 0.1667955 0.4383876 -2.5389149 -0.1322165 0.2062704 -0.1555564 -1.8783056 18 O -2.0458129 -0.3529165 0.1667955 -0.4383876 -2.5389149 0.1322165 0.2062704 0.1555564 -1.8783056 19 O -2.0458129 0.3529165 0.1667955 0.4383876 -2.5389149 -0.1322165 0.2062704 -0.1555564 -1.8783056 20 O -2.0458129 -0.3529165 0.1667955 -0.4383876 -2.5389149 0.1322165 0.2062704 0.1555564 -1.8783056 21 Ge 3.4935711 -0.1280038 0.2864601 -0.0344218 3.1900094 -0.0838239 0.1715721 -0.0011988 3.1025509 22 Ge 3.4935711 0.1280038 0.2864601 0.0344218 3.1900094 0.0838239 0.1715721 0.0011988 3.1025509 23 Ge 3.4935711 -0.1280038 0.2864601 -0.0344218 3.1900094 -0.0838239 0.1715721 -0.0011988 3.1025509 24 Ge 3.4935711 0.1280038 0.2864601 0.0344218 3.1900094 0.0838239 0.1715721 0.0011988 3.1025509 25 Dy 3.4603453 -0.1566162 -0.1163889 -0.1142943 3.7724639 -0.0818315 -0.2823239 0.0232703 4.0606623 26 Dy 3.4603453 0.1566162 -0.1163889 0.1142943 3.7724639 0.0818315 -0.2823239 -0.0232703 4.0606623 27 Dy 3.4603453 -0.1566162 -0.1163889 -0.1142943 3.7724639 -0.0818315 -0.2823239 0.0232703 4.0606623 28 Dy 3.4603453 0.1566162 -0.1163889 0.1142943 3.7724639 0.0818315 -0.2823239 -0.0232703 4.0606623 29 Dy 3.9819388 -0.4778910 -0.0644384 -0.4479682 3.7483246 -0.1749572 0.2312569 -0.0863615 3.7979386 30 Dy 3.9819388 0.4778910 -0.0644384 0.4479682 3.7483246 0.1749572 0.2312569 0.0863615 3.7979386 31 Dy 3.9819388 -0.4778910 -0.0644384 -0.4479682 3.7483246 -0.1749572 0.2312569 -0.0863615 3.7979386 32 Dy 3.9819388 0.4778910 -0.0644384 0.4479682 3.7483246 0.1749572 0.2312569 0.0863615 3.7979386 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:08:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:08:16]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.439852031065263 -3.382721415000001 0.000000000000000 b 7.439852031065263 3.382721415000001 0.000000000000000 c -5.491153596930955 0.000000000000000 8.776180364642036 Atomic positions (fractional): 1 O 0.36554051097708 0.22488098485570 0.54643735212821 15.999 2 O 0.77511901514430 0.63445948902293 0.95356264787179 15.999 3 O 0.63445948902292 0.77511901514430 0.45356264787179 15.999 4 O 0.22488098485570 0.36554051097708 0.04643735212821 15.999 5 O 0.42187571499735 0.41392701361223 0.86217764279830 15.999 6 O 0.58607298638777 0.57812428500265 0.63782235720170 15.999 7 O 0.57812428500265 0.58607298638777 0.13782235720170 15.999 8 O 0.41392701361223 0.42187571499735 0.36217764279830 15.999 9 O 0.35015374275616 0.04086861046594 0.17349449655866 15.999 10 O 0.95913138953406 0.64984625724384 0.32650550344134 15.999 11 O 0.64984625724384 0.95913138953406 0.82650550344134 15.999 12 O 0.04086861046594 0.35015374275616 0.67349449655866 15.999 13 O 0.91930629929775 0.11653633766938 0.89928800751130 15.999 14 O 0.88346366233062 0.08069370070225 0.60071199248870 15.999 15 O 0.08069370070225 0.88346366233062 0.10071199248870 15.999 16 O 0.11653633766938 0.91930629929775 0.39928800751130 15.999 17 O 0.31246765355366 0.91657391527776 0.81848893192516 15.999 18 O 0.08342608472224 0.68753234644634 0.68151106807484 15.999 19 O 0.68753234644634 0.08342608472224 0.18151106807484 15.999 20 O 0.91657391527776 0.31246765355366 0.31848893192516 15.999 21 Ge 0.40988116180415 0.21926105969468 0.18929837301492 72.640 22 Ge 0.78073894030532 0.59011883819585 0.31070162698508 72.640 23 Ge 0.59011883819585 0.78073894030532 0.81070162698508 72.640 24 Ge 0.21926105969468 0.40988116180415 0.68929837301492 72.640 25 Dy 0.79257405299016 0.27570346304721 0.46140551441623 162.500 26 Dy 0.72429653695279 0.20742594700984 0.03859448558377 162.500 27 Dy 0.20742594700984 0.72429653695279 0.53859448558377 162.500 28 Dy 0.27570346304721 0.79257405299016 0.96140551441623 162.500 29 Dy 0.27069542628963 0.00095829854602 0.33465361471001 162.500 30 Dy 0.99904170145398 0.72930457371037 0.16534638528999 162.500 31 Dy 0.72930457371038 0.99904170145398 0.66534638528999 162.500 32 Dy 0.00095829854602 0.27069542628962 0.83465361471001 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.879704062130527 0.000000000000000 0.000000000000000 b 0.000000000000000 13.530885660000003 0.000000000000000 c -5.491153596930955 0.000000000000000 8.776180364642036 Atomic positions (fractional): 1 O 0.79521074791639 0.21483511846966 0.54643735212821 15.999 > 1 2 O 0.79521074791639 0.71483511846966 0.54643735212821 15.999 > 1 3 O 0.20478925208361 0.21483511846966 0.95356264787179 15.999 > 3 4 O 0.20478925208361 0.71483511846966 0.95356264787179 15.999 > 3 5 O 0.20478925208361 0.28516488153034 0.45356264787179 15.999 > 5 6 O 0.20478925208361 0.78516488153034 0.45356264787179 15.999 > 5 7 O 0.79521074791639 0.28516488153034 0.04643735212821 15.999 > 7 8 O 0.79521074791639 0.78516488153034 0.04643735212821 15.999 > 7 9 O 0.41790136430479 0.49801282465372 0.86217764279830 15.999 > 9 10 O 0.41790136430479 0.99801282465372 0.86217764279830 15.999 > 9 11 O 0.08209863569521 0.24801282465372 0.63782235720170 15.999 > 11 12 O 0.08209863569521 0.74801282465372 0.63782235720170 15.999 > 11 13 O 0.58209863569521 0.00198717534628 0.13782235720170 15.999 > 13 14 O 0.58209863569521 0.50198717534628 0.13782235720170 15.999 > 13 15 O 0.91790136430479 0.25198717534628 0.36217764279830 15.999 > 15 16 O 0.91790136430479 0.75198717534628 0.36217764279830 15.999 > 15 17 O 0.69551117661105 0.17267871692744 0.17349449655866 15.999 > 17 18 O 0.69551117661105 0.67267871692744 0.17349449655866 15.999 > 17 19 O 0.80448882338895 0.42267871692744 0.32650550344134 15.999 > 19 20 O 0.80448882338895 0.92267871692744 0.32650550344134 15.999 > 19 21 O 0.30448882338895 0.32732128307256 0.82650550344134 15.999 > 21 22 O 0.30448882338895 0.82732128307256 0.82650550344134 15.999 > 21 23 O 0.19551117661105 0.07732128307256 0.67349449655866 15.999 > 23 24 O 0.19551117661105 0.57732128307256 0.67349449655866 15.999 > 23 25 O 0.01792131848356 0.04930750959291 0.89928800751130 15.999 > 25 26 O 0.01792131848356 0.54930750959291 0.89928800751130 15.999 > 25 27 O 0.98207868151644 0.04930750959291 0.60071199248870 15.999 > 27 28 O 0.98207868151644 0.54930750959291 0.60071199248870 15.999 > 27 29 O 0.98207868151644 0.45069249040709 0.10071199248870 15.999 > 29 30 O 0.98207868151644 0.95069249040709 0.10071199248870 15.999 > 29 31 O 0.01792131848356 0.45069249040709 0.39928800751130 15.999 > 31 32 O 0.01792131848356 0.95069249040709 0.39928800751130 15.999 > 31 33 O 0.11452078441571 0.40102656543103 0.81848893192516 15.999 > 33 34 O 0.11452078441571 0.90102656543103 0.81848893192516 15.999 > 33 35 O 0.88547921558429 0.40102656543103 0.68151106807484 15.999 > 35 36 O 0.88547921558429 0.90102656543103 0.68151106807484 15.999 > 35 37 O 0.88547921558429 0.09897343456897 0.18151106807484 15.999 > 37 38 O 0.88547921558429 0.59897343456897 0.18151106807484 15.999 > 37 39 O 0.11452078441571 0.09897343456897 0.31848893192516 15.999 > 39 40 O 0.11452078441571 0.59897343456897 0.31848893192516 15.999 > 39 41 O 0.29521074791639 0.46483511846966 0.54643735212821 15.999 > 1 42 O 0.29521074791639 0.96483511846966 0.54643735212821 15.999 > 1 43 O 0.70478925208361 0.46483511846966 0.95356264787179 15.999 > 3 44 O 0.70478925208361 0.96483511846966 0.95356264787179 15.999 > 3 45 O 0.70478925208361 0.03516488153034 0.45356264787179 15.999 > 5 46 O 0.70478925208361 0.53516488153034 0.45356264787179 15.999 > 5 47 O 0.29521074791639 0.03516488153034 0.04643735212821 15.999 > 7 48 O 0.29521074791639 0.53516488153034 0.04643735212821 15.999 > 7 49 O 0.91790136430479 0.24801282465372 0.86217764279830 15.999 > 9 50 O 0.91790136430479 0.74801282465372 0.86217764279830 15.999 > 9 51 O 0.58209863569521 0.49801282465372 0.63782235720170 15.999 > 11 52 O 0.58209863569521 0.99801282465372 0.63782235720170 15.999 > 11 53 O 0.08209863569521 0.25198717534628 0.13782235720170 15.999 > 13 54 O 0.08209863569521 0.75198717534628 0.13782235720170 15.999 > 13 55 O 0.41790136430479 0.00198717534628 0.36217764279830 15.999 > 15 56 O 0.41790136430479 0.50198717534628 0.36217764279830 15.999 > 15 57 O 0.19551117661105 0.42267871692744 0.17349449655866 15.999 > 17 58 O 0.19551117661105 0.92267871692744 0.17349449655866 15.999 > 17 59 O 0.30448882338895 0.17267871692744 0.32650550344134 15.999 > 19 60 O 0.30448882338895 0.67267871692744 0.32650550344134 15.999 > 19 61 O 0.80448882338895 0.07732128307256 0.82650550344134 15.999 > 21 62 O 0.80448882338895 0.57732128307256 0.82650550344134 15.999 > 21 63 O 0.69551117661105 0.32732128307256 0.67349449655866 15.999 > 23 64 O 0.69551117661105 0.82732128307256 0.67349449655866 15.999 > 23 65 O 0.51792131848356 0.29930750959291 0.89928800751130 15.999 > 25 66 O 0.51792131848356 0.79930750959291 0.89928800751130 15.999 > 25 67 O 0.48207868151644 0.29930750959291 0.60071199248870 15.999 > 27 68 O 0.48207868151644 0.79930750959291 0.60071199248870 15.999 > 27 69 O 0.48207868151644 0.20069249040709 0.10071199248870 15.999 > 29 70 O 0.48207868151644 0.70069249040709 0.10071199248870 15.999 > 29 71 O 0.51792131848356 0.20069249040709 0.39928800751130 15.999 > 31 72 O 0.51792131848356 0.70069249040709 0.39928800751130 15.999 > 31 73 O 0.61452078441571 0.15102656543103 0.81848893192516 15.999 > 33 74 O 0.61452078441571 0.65102656543103 0.81848893192516 15.999 > 33 75 O 0.38547921558429 0.15102656543103 0.68151106807484 15.999 > 35 76 O 0.38547921558429 0.65102656543103 0.68151106807484 15.999 > 35 77 O 0.38547921558429 0.34897343456897 0.18151106807484 15.999 > 37 78 O 0.38547921558429 0.84897343456897 0.18151106807484 15.999 > 37 79 O 0.61452078441571 0.34897343456897 0.31848893192516 15.999 > 39 80 O 0.61452078441571 0.84897343456897 0.31848893192516 15.999 > 39 81 Ge 0.81457111074942 0.20234497447263 0.18929837301492 72.640 > 81 82 Ge 0.81457111074942 0.70234497447263 0.18929837301492 72.640 > 81 83 Ge 0.68542888925058 0.45234497447263 0.31070162698508 72.640 > 83 84 Ge 0.68542888925058 0.95234497447263 0.31070162698508 72.640 > 83 85 Ge 0.18542888925058 0.29765502552737 0.81070162698508 72.640 > 85 86 Ge 0.18542888925058 0.79765502552737 0.81070162698508 72.640 > 85 87 Ge 0.31457111074942 0.04765502552737 0.68929837301492 72.640 > 87 88 Ge 0.31457111074942 0.54765502552737 0.68929837301492 72.640 > 87 89 Ge 0.31457111074942 0.45234497447263 0.18929837301492 72.640 > 81 90 Ge 0.31457111074942 0.95234497447263 0.18929837301492 72.640 > 81 91 Ge 0.18542888925058 0.20234497447263 0.31070162698508 72.640 > 83 92 Ge 0.18542888925058 0.70234497447263 0.31070162698508 72.640 > 83 93 Ge 0.68542888925058 0.04765502552737 0.81070162698508 72.640 > 85 94 Ge 0.68542888925058 0.54765502552737 0.81070162698508 72.640 > 85 95 Ge 0.81457111074942 0.29765502552737 0.68929837301492 72.640 > 87 96 Ge 0.81457111074942 0.79765502552737 0.68929837301492 72.640 > 87 97 Dy 0.03413875801869 0.12078235251426 0.46140551441623 162.500 > 97 98 Dy 0.03413875801869 0.62078235251426 0.46140551441623 162.500 > 97 99 Dy 0.96586124198131 0.12078235251426 0.03859448558377 162.500 > 99 100 Dy 0.96586124198131 0.62078235251426 0.03859448558377 162.500 > 99 101 Dy 0.96586124198131 0.37921764748574 0.53859448558377 162.500 > 101 102 Dy 0.96586124198131 0.87921764748574 0.53859448558377 162.500 > 101 103 Dy 0.03413875801869 0.37921764748574 0.96140551441623 162.500 > 103 104 Dy 0.03413875801869 0.87921764748574 0.96140551441623 162.500 > 103 105 Dy 0.13582686241782 0.43256571806410 0.33465361471001 162.500 > 105 106 Dy 0.13582686241782 0.93256571806410 0.33465361471001 162.500 > 105 107 Dy 0.86417313758218 0.43256571806410 0.16534638528999 162.500 > 107 108 Dy 0.86417313758218 0.93256571806410 0.16534638528999 162.500 > 107 109 Dy 0.86417313758218 0.06743428193590 0.66534638528999 162.500 > 109 110 Dy 0.86417313758218 0.56743428193590 0.66534638528999 162.500 > 109 111 Dy 0.13582686241782 0.06743428193590 0.83465361471001 162.500 > 111 112 Dy 0.13582686241782 0.56743428193590 0.83465361471001 162.500 > 111 113 Dy 0.53413875801869 0.37078235251426 0.46140551441623 162.500 > 97 114 Dy 0.53413875801869 0.87078235251426 0.46140551441623 162.500 > 97 115 Dy 0.46586124198131 0.37078235251426 0.03859448558377 162.500 > 99 116 Dy 0.46586124198131 0.87078235251426 0.03859448558377 162.500 > 99 117 Dy 0.46586124198131 0.12921764748574 0.53859448558377 162.500 > 101 118 Dy 0.46586124198131 0.62921764748574 0.53859448558377 162.500 > 101 119 Dy 0.53413875801869 0.12921764748574 0.96140551441623 162.500 > 103 120 Dy 0.53413875801869 0.62921764748574 0.96140551441623 162.500 > 103 121 Dy 0.63582686241782 0.18256571806410 0.33465361471001 162.500 > 105 122 Dy 0.63582686241782 0.68256571806410 0.33465361471001 162.500 > 105 123 Dy 0.36417313758218 0.18256571806410 0.16534638528999 162.500 > 107 124 Dy 0.36417313758218 0.68256571806410 0.16534638528999 162.500 > 107 125 Dy 0.36417313758218 0.31743428193590 0.66534638528999 162.500 > 109 126 Dy 0.36417313758218 0.81743428193590 0.66534638528999 162.500 > 109 127 Dy 0.63582686241782 0.31743428193590 0.83465361471001 162.500 > 111 128 Dy 0.63582686241782 0.81743428193590 0.83465361471001 162.500 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8303559 0.0000000 0.0216156 0.0000000 3.7424263 0.0000000 0.0216098 0.0000000 3.8129915 -------------------------- Born effective charges -------------------------- 1 O -1.5035111 0.1985449 -0.3591690 0.2070441 -2.3322073 -0.1853099 -0.3434744 -0.3142832 -2.4213555 2 O -1.5035111 -0.1985449 -0.3591690 -0.2070441 -2.3322073 0.1853099 -0.3434744 0.3142832 -2.4213555 3 O -1.5035111 0.1985449 -0.3591690 0.2070441 -2.3322073 -0.1853099 -0.3434744 -0.3142832 -2.4213555 4 O -1.5035111 -0.1985449 -0.3591690 -0.2070441 -2.3322073 0.1853099 -0.3434744 0.3142832 -2.4213555 5 O -1.4473687 -0.3263934 -0.3742190 -0.2548747 -2.4077141 0.3573666 -0.4083135 0.2534447 -2.3454087 6 O -1.4473687 0.3263934 -0.3742190 0.2548747 -2.4077141 -0.3573666 -0.4083135 -0.2534447 -2.3454087 7 O -1.4473687 -0.3263934 -0.3742190 -0.2548747 -2.4077141 0.3573666 -0.4083135 0.2534447 -2.3454087 8 O -1.4473687 0.3263934 -0.3742190 0.2548747 -2.4077141 -0.3573666 -0.4083135 -0.2534447 -2.3454087 9 O -3.0058672 -0.2754010 0.0175794 -0.3369959 -1.3320163 -0.1945448 -0.0382244 -0.1550173 -1.9580038 10 O -3.0058672 0.2754010 0.0175794 0.3369959 -1.3320163 0.1945448 -0.0382244 0.1550173 -1.9580038 11 O -3.0058672 -0.2754010 0.0175794 -0.3369959 -1.3320163 -0.1945448 -0.0382244 -0.1550173 -1.9580038 12 O -3.0058672 0.2754010 0.0175794 0.3369959 -1.3320163 0.1945448 -0.0382244 0.1550173 -1.9580038 13 O -2.9332953 0.2140392 0.4433803 0.2915507 -2.0999453 -0.0264227 0.4632368 0.1158660 -2.3580782 14 O -2.9332953 -0.2140392 0.4433803 -0.2915507 -2.0999453 0.0264227 0.4632368 -0.1158660 -2.3580782 15 O -2.9332953 0.2140392 0.4433803 0.2915507 -2.0999453 -0.0264227 0.4632368 0.1158660 -2.3580782 16 O -2.9332953 -0.2140392 0.4433803 -0.2915507 -2.0999453 0.0264227 0.4632368 -0.1158660 -2.3580782 17 O -2.0458129 0.3529165 0.1667955 0.4383876 -2.5389149 -0.1322165 0.2062704 -0.1555564 -1.8783056 18 O -2.0458129 -0.3529165 0.1667955 -0.4383876 -2.5389149 0.1322165 0.2062704 0.1555564 -1.8783056 19 O -2.0458129 0.3529165 0.1667955 0.4383876 -2.5389149 -0.1322165 0.2062704 -0.1555564 -1.8783056 20 O -2.0458129 -0.3529165 0.1667955 -0.4383876 -2.5389149 0.1322165 0.2062704 0.1555564 -1.8783056 21 Ge 3.4935711 -0.1280038 0.2864601 -0.0344218 3.1900094 -0.0838239 0.1715721 -0.0011988 3.1025509 22 Ge 3.4935711 0.1280038 0.2864601 0.0344218 3.1900094 0.0838239 0.1715721 0.0011988 3.1025509 23 Ge 3.4935711 -0.1280038 0.2864601 -0.0344218 3.1900094 -0.0838239 0.1715721 -0.0011988 3.1025509 24 Ge 3.4935711 0.1280038 0.2864601 0.0344218 3.1900094 0.0838239 0.1715721 0.0011988 3.1025509 25 Dy 3.4603453 -0.1566162 -0.1163889 -0.1142943 3.7724639 -0.0818315 -0.2823239 0.0232703 4.0606623 26 Dy 3.4603453 0.1566162 -0.1163889 0.1142943 3.7724639 0.0818315 -0.2823239 -0.0232703 4.0606623 27 Dy 3.4603453 -0.1566162 -0.1163889 -0.1142943 3.7724639 -0.0818315 -0.2823239 0.0232703 4.0606623 28 Dy 3.4603453 0.1566162 -0.1163889 0.1142943 3.7724639 0.0818315 -0.2823239 -0.0232703 4.0606623 29 Dy 3.9819388 -0.4778910 -0.0644384 -0.4479682 3.7483246 -0.1749572 0.2312569 -0.0863615 3.7979386 30 Dy 3.9819388 0.4778910 -0.0644384 0.4479682 3.7483246 0.1749572 0.2312569 0.0863615 3.7979386 31 Dy 3.9819388 -0.4778910 -0.0644384 -0.4479682 3.7483246 -0.1749572 0.2312569 -0.0863615 3.7979386 32 Dy 3.9819388 0.4778910 -0.0644384 0.4479682 3.7483246 0.1749572 0.2312569 0.0863615 3.7979386 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xzx) 0.00000000 (xzx) 0.00000000 (xxz) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.255 ( 0.000 0.000 0.000) 0.000 1.862 ( 0.000 0.000 0.000) 0.000 2.116 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.432 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.537 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 3.146 ( 0.000 0.000 0.000) 0.000 3.342 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.460 ( 0.000 0.000 0.000) 0.000 3.590 ( 0.000 0.000 0.000) 0.000 3.664 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.054 ( 0.000 0.000 0.000) 0.000 4.254 ( 0.000 0.000 0.000) 0.000 4.283 ( 0.000 0.000 0.000) 0.000 4.755 ( 0.000 0.000 0.000) 0.000 4.842 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.181 ( 0.000 0.000 0.000) 0.000 5.445 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.472 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.821 ( 0.000 0.000 0.000) 0.000 5.881 ( 0.000 0.000 0.000) 0.000 5.891 ( 0.000 0.000 0.000) 0.000 6.116 ( 0.000 0.000 0.000) 0.000 6.182 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 7.579 ( 0.000 0.000 0.000) 0.000 7.637 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 7.784 ( 0.000 0.000 0.000) 0.000 7.964 ( 0.000 0.000 0.000) 0.000 7.983 ( 0.000 0.000 0.000) 0.000 8.088 ( 0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.752 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.417 ( 0.000 0.000 0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 10.033 ( 0.000 0.000 0.000) 0.000 10.112 ( 0.000 0.000 0.000) 0.000 10.292 ( 0.000 0.000 0.000) 0.000 10.373 ( 0.000 0.000 0.000) 0.000 10.497 ( 0.000 0.000 0.000) 0.000 10.823 ( 0.000 0.000 0.000) 0.000 10.953 ( 0.000 0.000 0.000) 0.000 10.988 ( 0.000 0.000 0.000) 0.000 11.368 ( 0.000 0.000 0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 11.647 ( 0.000 0.000 0.000) 0.000 11.796 ( 0.000 0.000 0.000) 0.000 11.853 ( 0.000 0.000 0.000) 0.000 12.181 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 12.942 ( 0.000 0.000 0.000) 0.000 13.068 ( 0.000 0.000 0.000) 0.000 13.123 ( 0.000 0.000 0.000) 0.000 13.204 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 14.001 ( 0.000 0.000 0.000) 0.000 14.204 ( 0.000 0.000 0.000) 0.000 14.639 ( 0.000 0.000 0.000) 0.000 15.630 ( 0.000 0.000 0.000) 0.000 16.344 ( 0.000 0.000 0.000) 0.000 16.579 ( 0.000 0.000 0.000) 0.000 17.256 ( 0.000 0.000 0.000) 0.000 20.425 ( 0.000 0.000 0.000) 0.000 20.918 ( 0.000 0.000 0.000) 0.000 21.036 ( 0.000 0.000 0.000) 0.000 21.105 ( 0.000 0.000 0.000) 0.000 21.219 ( 0.000 0.000 0.000) 0.000 21.683 ( 0.000 0.000 0.000) 0.000 22.420 ( 0.000 0.000 0.000) 0.000 22.606 ( 0.000 0.000 0.000) 0.000 22.838 ( 0.000 0.000 0.000) 0.000 22.850 ( 0.000 0.000 0.000) 0.000 22.899 ( 0.000 0.000 0.000) 0.000 23.467 ( 0.000 0.000 0.000) 0.000 23.469 ( 0.000 0.000 0.000) 0.000 23.598 ( 0.000 0.000 0.000) 0.000 23.668 ( 0.000 0.000 0.000) 0.000 23.879 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( 21.139 -15.040 -3.246) 26.146 0.637 ( 10.164 -24.209 17.196) 31.386 0.881 ( 20.690 -29.912 12.823) 38.564 1.434 ( 0.291 -17.853 2.539) 18.035 2.001 ( -6.799 -10.877 -3.274) 13.238 2.171 ( -4.183 -12.592 -0.058) 13.269 2.339 ( 2.861 -2.648 -1.769) 4.281 2.484 ( -8.427 -11.575 2.486) 14.532 2.572 ( -3.722 -7.250 2.096) 8.415 2.640 ( 9.947 -5.858 -3.565) 12.082 2.856 ( 2.038 -2.821 1.630) 3.843 3.134 ( 1.752 2.600 2.616) 4.083 3.245 ( 1.638 13.914 -0.478) 14.018 3.319 ( -3.794 -1.595 -4.964) 6.448 3.426 ( -0.417 -1.218 0.048) 1.288 3.596 ( -3.267 -0.112 4.519) 5.577 3.740 ( -6.679 3.512 -5.026) 9.067 3.832 ( 1.487 2.865 -2.492) 4.078 3.853 ( -1.812 -9.299 -1.800) 9.643 4.021 ( -2.172 3.776 -2.982) 5.279 4.115 ( -4.563 -2.697 0.709) 5.348 4.269 ( 5.949 0.954 -0.649) 6.060 4.296 ( 3.661 0.558 2.095) 4.255 4.763 ( -1.145 3.708 -1.123) 4.040 4.855 ( 0.176 -0.243 2.480) 2.498 4.942 ( -1.097 -4.963 -0.818) 5.148 5.164 ( -1.867 1.474 -1.020) 2.588 5.210 ( -0.921 -1.131 0.292) 1.488 5.382 ( -0.234 4.913 -3.225) 5.882 5.469 ( 2.573 3.520 0.072) 4.361 5.516 ( 1.894 -1.727 2.022) 3.265 5.686 ( -2.643 5.402 -3.061) 6.748 5.736 ( 0.303 -3.955 0.924) 4.072 5.747 ( 0.574 5.705 -0.720) 5.779 5.895 ( -0.814 -1.967 0.959) 2.335 6.098 ( -3.156 -1.770 -4.555) 5.818 6.232 ( 6.597 -2.660 -0.745) 7.152 6.624 ( -6.350 -0.130 7.643) 9.937 6.760 ( 1.514 7.551 2.190) 8.006 6.856 ( -1.249 2.819 4.096) 5.127 7.510 ( 1.666 3.278 -0.426) 3.701 7.707 ( -1.954 0.867 -8.282) 8.554 7.778 ( 2.069 1.318 2.854) 3.763 7.817 ( 1.224 -8.063 2.992) 8.687 7.948 ( -0.747 3.624 -1.160) 3.878 7.973 ( 0.262 0.614 1.013) 1.213 8.148 ( -0.200 -1.494 1.042) 1.832 8.364 ( -1.933 2.002 -2.993) 4.087 8.769 ( -2.376 0.704 8.954) 9.291 9.268 ( -6.771 1.089 1.322) 6.984 9.352 ( 0.768 1.173 -2.190) 2.601 9.427 ( -1.574 0.519 1.436) 2.193 9.549 ( 8.612 -1.504 -0.753) 8.774 10.124 ( 3.948 0.632 1.481) 4.264 10.266 ( -0.788 0.922 -0.036) 1.213 10.366 ( -0.489 -7.496 -9.561) 12.159 10.476 ( -0.088 -3.145 8.447) 9.014 10.806 ( -8.479 -0.665 4.758) 9.745 10.920 ( 7.264 1.982 -5.035) 9.058 10.999 ( 0.891 -0.668 -0.762) 1.350 11.319 ( -45.933 -21.214 -2.245) 50.645 11.361 ( -0.040 -1.971 -8.164) 8.398 11.567 ( -0.360 1.821 -0.633) 1.961 11.821 ( 0.146 -1.355 0.915) 1.641 11.874 ( -0.795 -2.157 1.860) 2.958 12.136 ( 6.363 7.244 3.925) 10.410 12.179 ( 3.103 3.551 1.876) 5.076 12.864 ( -5.025 6.895 0.025) 8.532 12.908 ( -5.924 5.762 7.357) 11.065 13.035 ( 6.565 6.659 0.816) 9.387 13.098 ( -7.560 -0.483 -1.233) 7.675 13.333 ( 1.274 0.671 5.251) 5.445 13.572 ( 4.468 -4.245 11.802) 13.314 13.943 ( -0.914 3.437 -2.961) 4.628 14.269 ( -4.158 -5.986 3.248) 7.979 14.934 ( -24.896 -11.153 2.643) 27.407 15.869 ( 47.799 21.323 -11.853) 53.664 16.385 ( 6.058 -1.342 -0.617) 6.235 17.268 ( 2.759 -0.292 -2.184) 3.532 17.399 ( 7.112 -0.467 -25.721) 26.690 20.430 ( -2.125 3.710 10.172) 11.034 20.928 ( 1.325 0.590 -4.272) 4.511 21.059 ( -0.029 2.373 11.503) 11.745 21.153 ( -1.147 -4.684 -1.904) 5.185 21.250 ( 1.606 -2.029 2.891) 3.880 22.151 ( -27.577 0.180 -12.743) 30.379 22.502 ( -3.373 -2.520 -0.102) 4.212 22.745 ( -10.635 -10.237 -0.902) 14.788 22.859 ( 0.300 -0.531 0.795) 1.002 22.984 ( -10.756 -17.924 -2.610) 21.066 23.097 ( -2.831 -3.513 3.796) 5.896 23.477 ( -1.647 -1.276 0.730) 2.207 23.591 ( 0.063 0.444 -1.076) 1.166 23.665 ( -0.377 0.048 -0.253) 0.457 23.842 ( 0.739 3.188 -3.434) 4.744 24.096 ( 57.824 31.700 8.337) 66.468 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 18.677 -14.369 0.043) 23.565 1.224 ( 8.180 -21.043 14.009) 26.570 1.516 ( 7.516 -18.119 9.622) 21.848 1.825 ( -3.125 -20.628 -1.157) 20.895 2.086 ( -4.201 -11.773 -0.624) 12.516 2.386 ( -3.517 -4.980 -3.649) 7.105 2.476 ( -0.842 -12.940 2.749) 13.255 2.699 ( -5.304 -14.728 5.468) 16.582 2.754 ( 1.824 -11.408 -0.052) 11.553 2.840 ( 3.839 -4.930 0.425) 6.263 2.929 ( 3.647 -0.860 -0.967) 3.870 3.062 ( 4.745 2.271 1.222) 5.401 3.122 ( 2.395 3.618 -0.529) 4.371 3.307 ( -2.366 -4.283 -3.424) 5.972 3.382 ( -0.400 3.025 -2.066) 3.685 3.542 ( -8.037 3.277 4.258) 9.668 3.669 ( -5.419 -5.276 -5.309) 9.241 3.769 ( 5.740 8.162 -1.371) 10.072 3.855 ( -5.469 0.963 -4.746) 7.305 3.941 ( -6.675 -3.765 -6.381) 9.972 4.147 ( -3.773 -2.259 3.990) 5.938 4.260 ( 3.326 4.837 -1.456) 6.048 4.399 ( 7.234 -3.312 7.530) 10.954 4.692 ( 1.521 3.490 1.082) 3.958 4.900 ( 1.467 -2.129 3.307) 4.198 5.001 ( -3.274 -2.301 2.233) 4.582 5.127 ( 1.404 2.062 0.818) 2.626 5.221 ( -4.228 -3.595 -7.169) 9.066 5.261 ( 2.638 6.365 -2.288) 7.260 5.384 ( -0.365 5.142 -3.281) 6.111 5.468 ( -1.677 4.537 1.091) 4.959 5.615 ( 5.953 3.477 -1.375) 7.030 5.650 ( 1.579 4.014 3.105) 5.315 5.833 ( -4.886 -1.719 2.332) 5.680 5.983 ( 1.729 -6.737 -0.832) 7.005 6.069 ( -0.901 -1.472 -8.572) 8.744 6.269 ( 3.816 1.868 -4.152) 5.940 6.535 ( 1.616 9.393 10.871) 14.458 6.700 ( -4.612 -0.977 -5.689) 7.388 6.815 ( -3.758 0.834 2.758) 4.736 7.490 ( 3.021 0.650 -0.915) 3.223 7.618 ( -2.404 3.108 -4.652) 6.089 7.713 ( -0.918 5.688 1.697) 6.006 7.815 ( -0.878 7.726 -0.756) 7.812 7.973 ( 3.010 -2.105 -0.063) 3.673 8.019 ( 0.219 -5.355 0.880) 5.431 8.164 ( -0.129 1.287 2.564) 2.872 8.291 ( -3.604 1.237 -2.325) 4.464 8.789 ( -2.253 -0.658 5.587) 6.060 9.197 ( -5.675 -0.526 0.117) 5.700 9.367 ( 5.505 3.000 0.686) 6.307 9.416 ( -2.820 -2.564 1.820) 4.223 9.629 ( 5.764 -1.172 -1.379) 6.041 10.181 ( 7.343 -0.464 3.383) 8.098 10.266 ( 0.101 -1.237 -0.401) 1.304 10.451 ( -1.009 -5.125 -3.985) 6.569 10.587 ( -2.138 -5.432 6.457) 8.705 10.770 ( -3.463 0.353 1.214) 3.687 10.921 ( 7.800 2.003 -4.145) 9.057 11.001 ( 3.871 1.261 -4.106) 5.782 11.321 ( -20.024 -5.532 12.474) 24.231 11.381 ( -6.589 -8.899 -13.860) 17.740 11.506 ( -2.541 1.602 -0.807) 3.110 11.826 ( -0.268 1.285 0.741) 1.507 11.907 ( -0.596 0.340 0.930) 1.156 12.080 ( 1.717 4.239 1.678) 4.872 12.165 ( 4.975 1.295 2.316) 5.639 12.641 ( 0.114 12.155 5.473) 13.331 12.824 ( -4.314 2.297 1.255) 5.046 12.971 ( 2.868 5.167 0.541) 5.934 13.056 ( -8.102 -1.529 -1.672) 8.413 13.340 ( -2.182 1.269 3.377) 4.216 13.676 ( -0.094 -2.039 1.136) 2.336 13.909 ( 3.039 -1.001 -3.739) 4.921 14.337 ( -6.640 -3.788 2.923) 8.184 14.958 ( -9.882 -6.916 -1.146) 12.117 15.804 ( 21.189 12.039 -4.459) 24.775 16.466 ( 7.102 -1.211 -0.399) 7.216 17.244 ( 4.110 3.857 -8.726) 10.388 17.360 ( -1.031 -1.931 -2.596) 3.396 20.393 ( -0.853 2.787 4.535) 5.390 20.917 ( 2.387 1.302 -0.379) 2.745 21.079 ( 1.168 0.609 6.600) 6.730 21.205 ( -1.910 -3.574 -3.566) 5.398 21.351 ( 3.166 -3.645 5.048) 6.985 21.857 ( -15.769 5.288 -8.323) 18.598 22.501 ( -1.501 -0.460 -1.187) 1.968 22.865 ( -2.608 -7.811 2.676) 8.659 22.882 ( 0.379 -1.156 0.949) 1.543 23.142 ( -9.827 -10.176 -4.414) 14.819 23.244 ( 3.175 -8.167 6.766) 11.071 23.489 ( -3.310 -1.311 1.166) 3.746 23.575 ( 0.747 0.473 -2.392) 2.550 23.659 ( -0.921 -0.049 0.006) 0.923 23.754 ( 1.943 4.509 -4.849) 6.900 24.013 ( 24.856 17.885 2.857) 30.755 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 13.389 -9.184 1.679) 16.323 1.624 ( -2.044 -13.968 1.113) 14.160 1.832 ( 3.918 -7.119 15.429) 17.438 2.091 ( -2.623 -13.172 -6.889) 15.095 2.333 ( 1.325 -10.375 0.852) 10.494 2.411 ( -3.128 -1.168 -2.393) 4.108 2.604 ( -4.053 -5.976 3.799) 8.159 2.833 ( 2.788 4.610 1.330) 5.549 2.868 ( 0.231 -0.631 6.785) 6.818 2.960 ( -1.505 -8.510 0.915) 8.691 2.989 ( 2.206 2.770 -8.550) 9.254 3.053 ( 1.444 -12.872 3.545) 13.429 3.200 ( -3.476 6.014 -2.260) 7.305 3.251 ( 2.512 -4.220 -1.632) 5.176 3.408 ( -8.874 7.012 -1.623) 11.426 3.500 ( 6.166 -0.151 -1.914) 6.458 3.660 ( 6.114 -6.011 1.432) 8.692 3.788 ( 2.254 -6.814 -0.161) 7.179 3.837 ( 0.827 -0.269 -2.319) 2.476 3.911 ( -9.545 -4.728 -3.534) 11.223 4.137 ( -5.294 4.837 2.606) 7.630 4.185 ( -0.536 -0.162 1.871) 1.953 4.508 ( 3.556 0.202 1.662) 3.931 4.685 ( 2.445 0.349 0.293) 2.487 4.941 ( -2.926 -1.458 3.924) 5.107 5.033 ( 7.450 1.770 2.059) 7.929 5.093 ( -2.151 2.355 -1.336) 3.458 5.161 ( -0.743 3.726 1.785) 4.198 5.230 ( -1.895 -2.845 -8.798) 9.439 5.299 ( -3.584 -2.501 -2.482) 5.026 5.442 ( 3.599 1.229 2.024) 4.308 5.585 ( 4.412 1.537 -0.022) 4.672 5.614 ( 1.255 5.451 2.395) 6.085 5.766 ( -6.089 2.961 -1.438) 6.922 5.988 ( -0.638 0.475 -5.511) 5.568 6.158 ( -0.092 -6.294 -0.046) 6.295 6.220 ( 3.188 3.043 -3.650) 5.723 6.488 ( 4.427 4.906 9.090) 11.238 6.612 ( -5.730 1.060 -7.580) 9.561 6.788 ( -2.700 0.578 1.592) 3.187 7.513 ( 4.096 2.764 1.094) 5.061 7.530 ( -2.437 -0.656 -3.456) 4.279 7.602 ( -1.237 4.018 -0.218) 4.210 7.685 ( -0.870 5.583 2.332) 6.113 7.999 ( 2.324 0.764 -4.099) 4.774 8.075 ( 1.054 0.445 2.088) 2.381 8.157 ( -1.962 -1.206 1.551) 2.777 8.236 ( -2.091 1.428 -0.066) 2.533 8.805 ( -2.388 -0.871 2.116) 3.307 9.209 ( -2.881 -3.964 -0.908) 4.984 9.329 ( 6.293 6.132 2.904) 9.254 9.470 ( -2.462 -3.259 0.898) 4.182 9.676 ( 1.988 -1.042 -0.988) 2.452 10.288 ( 8.008 -0.452 4.693) 9.293 10.299 ( -1.453 -3.387 -1.801) 4.101 10.482 ( -1.959 -2.002 -1.929) 3.401 10.692 ( -3.341 -3.106 5.019) 6.782 10.759 ( 2.863 -0.856 -0.685) 3.066 10.919 ( 4.499 0.992 -9.602) 10.650 11.016 ( 2.093 -1.297 4.670) 5.279 11.284 ( -11.092 1.914 4.534) 12.134 11.350 ( 0.399 0.426 -5.718) 5.747 11.564 ( -8.588 -10.930 1.075) 13.942 11.787 ( -1.235 2.286 0.963) 2.771 11.850 ( 5.382 6.611 -2.736) 8.953 12.024 ( -3.253 1.414 -0.649) 3.606 12.222 ( 3.857 -0.450 2.356) 4.542 12.542 ( 6.912 4.936 7.778) 11.517 12.768 ( -1.188 0.917 -2.269) 2.720 12.879 ( -11.820 1.988 2.582) 12.261 13.002 ( 0.912 2.015 -2.619) 3.428 13.303 ( -2.171 1.086 0.862) 2.576 13.710 ( 1.669 -1.364 -1.368) 2.553 13.944 ( 1.219 -1.324 -1.372) 2.263 14.331 ( -4.886 -0.314 1.333) 5.075 15.003 ( -4.032 -4.475 -1.302) 6.163 15.746 ( 9.564 6.285 -1.585) 11.553 16.531 ( 4.385 -0.510 -0.076) 4.415 17.153 ( 1.020 3.365 -4.668) 5.844 17.390 ( -0.126 -1.673 -0.003) 1.678 20.367 ( -0.271 1.433 2.148) 2.597 20.909 ( 1.381 1.359 1.070) 2.213 21.127 ( 2.674 -0.564 3.631) 4.545 21.226 ( -1.516 -2.438 -2.384) 3.731 21.454 ( 1.449 -2.362 2.476) 3.716 21.626 ( -8.041 4.472 -4.057) 10.055 22.489 ( -1.145 -0.250 -1.132) 1.630 22.912 ( 0.287 -1.116 0.437) 1.232 22.994 ( -0.963 -5.311 3.114) 6.231 23.216 ( -3.717 -5.820 -1.627) 7.095 23.419 ( -1.817 -4.486 2.322) 5.368 23.475 ( -1.122 -1.316 0.606) 1.833 23.574 ( 0.702 -0.874 -1.589) 1.944 23.638 ( -0.590 1.429 -2.392) 2.849 23.699 ( 1.087 0.248 -0.031) 1.115 23.889 ( 12.234 12.965 0.081) 17.827 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 0.000 -0.000 0.000) 0.000 1.785 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 -0.000 -0.000) 0.000 2.278 ( 0.000 -0.000 0.000) 0.000 2.298 ( -0.000 0.000 -0.000) 0.000 2.441 ( 0.000 -0.000 0.000) 0.000 2.738 ( 0.000 0.000 -0.000) 0.000 2.751 ( 0.000 -0.000 0.000) 0.000 2.893 ( 0.000 -0.000 -0.000) 0.000 2.968 ( 0.000 -0.000 -0.000) 0.000 3.056 ( 0.000 -0.000 0.000) 0.000 3.141 ( -0.000 -0.000 0.000) 0.000 3.170 ( 0.000 -0.000 0.000) 0.000 3.227 ( 0.000 -0.000 0.000) 0.000 3.306 ( 0.000 -0.000 0.000) 0.000 3.508 ( 0.000 0.000 0.000) 0.000 3.736 ( 0.000 -0.000 0.000) 0.000 3.836 ( -0.000 -0.000 -0.000) 0.000 3.926 ( 0.000 0.000 0.000) 0.000 3.929 ( -0.000 -0.000 -0.000) 0.000 4.064 ( -0.000 -0.000 -0.000) 0.000 4.188 ( 0.000 -0.000 0.000) 0.000 4.517 ( 0.000 -0.000 -0.000) 0.000 4.683 ( 0.000 -0.000 0.000) 0.000 4.998 ( -0.000 0.000 -0.000) 0.000 5.008 ( 0.000 -0.000 0.000) 0.000 5.068 ( 0.000 -0.000 0.000) 0.000 5.090 ( -0.000 0.000 -0.000) 0.000 5.254 ( 0.000 -0.000 0.000) 0.000 5.322 ( 0.000 0.000 0.000) 0.000 5.473 ( 0.000 -0.000 -0.000) 0.000 5.523 ( -0.000 -0.000 0.000) 0.000 5.648 ( -0.000 0.000 -0.000) 0.000 5.653 ( 0.000 -0.000 0.000) 0.000 5.970 ( 0.000 -0.000 0.000) 0.000 6.193 ( -0.000 -0.000 0.000) 0.000 6.219 ( 0.000 0.000 -0.000) 0.000 6.484 ( 0.000 -0.000 0.000) 0.000 6.551 ( 0.000 -0.000 0.000) 0.000 6.772 ( 0.000 -0.000 0.000) 0.000 7.486 ( -0.000 -0.000 -0.000) 0.000 7.519 ( 0.000 -0.000 0.000) 0.000 7.593 ( 0.000 -0.000 -0.000) 0.000 7.624 ( 0.000 -0.000 0.000) 0.000 7.978 ( 0.000 -0.000 -0.000) 0.000 8.071 ( 0.000 -0.000 0.000) 0.000 8.184 ( 0.000 -0.000 0.000) 0.000 8.204 ( 0.000 -0.000 0.000) 0.000 8.807 ( 0.000 -0.000 0.000) 0.000 9.242 ( -0.000 -0.000 -0.000) 0.000 9.299 ( 0.000 -0.000 0.000) 0.000 9.492 ( 0.000 -0.000 -0.000) 0.000 9.691 ( 0.000 -0.000 0.000) 0.000 10.318 ( 0.000 -0.000 0.000) 0.000 10.346 ( -0.000 -0.000 -0.000) 0.000 10.494 ( 0.000 -0.000 0.000) 0.000 10.690 ( 0.000 -0.000 0.000) 0.000 10.830 ( 0.000 0.000 -0.000) 0.000 10.879 ( 0.000 -0.000 0.000) 0.000 11.075 ( 0.000 -0.000 -0.000) 0.000 11.201 ( 0.000 -0.000 -0.000) 0.000 11.333 ( -0.000 -0.000 0.000) 0.000 11.701 ( -0.000 -0.000 -0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 11.794 ( -0.000 -0.000 0.000) 0.000 11.987 ( 0.000 -0.000 0.000) 0.000 12.248 ( 0.000 -0.000 0.000) 0.000 12.588 ( 0.000 -0.000 0.000) 0.000 12.739 ( 0.000 -0.000 -0.000) 0.000 12.789 ( -0.000 -0.000 0.000) 0.000 12.982 ( 0.000 -0.000 0.000) 0.000 13.286 ( 0.000 -0.000 0.000) 0.000 13.729 ( 0.000 -0.000 -0.000) 0.000 13.956 ( -0.000 -0.000 0.000) 0.000 14.311 ( 0.000 -0.000 -0.000) 0.000 15.026 ( 0.000 -0.000 0.000) 0.000 15.723 ( 0.000 -0.000 0.000) 0.000 16.554 ( 0.000 -0.000 0.000) 0.000 17.111 ( 0.000 -0.000 0.000) 0.000 17.406 ( 0.000 -0.000 -0.000) 0.000 20.358 ( 0.000 -0.000 0.000) 0.000 20.905 ( 0.000 -0.000 0.000) 0.000 21.155 ( 0.000 -0.000 -0.000) 0.000 21.246 ( 0.000 -0.000 0.000) 0.000 21.467 ( 0.000 -0.000 -0.000) 0.000 21.552 ( 0.000 -0.000 0.000) 0.000 22.483 ( 0.000 -0.000 0.000) 0.000 22.926 ( 0.000 -0.000 0.000) 0.000 23.051 ( 0.000 -0.000 0.000) 0.000 23.261 ( 0.000 -0.000 -0.000) 0.000 23.402 ( 0.000 -0.000 0.000) 0.000 23.539 ( 0.000 -0.000 -0.000) 0.000 23.592 ( 0.000 0.000 0.000) 0.000 23.596 ( 0.000 -0.000 0.000) 0.000 23.748 ( 0.000 0.000 -0.000) 0.000 23.769 ( -0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 21.349 0.000 16.403) 26.923 0.610 ( 32.692 0.000 5.036) 33.077 1.016 ( 35.058 0.000 28.184) 44.982 1.269 ( 1.624 0.000 1.627) 2.299 1.830 ( -2.730 -0.000 -3.605) 4.522 1.963 ( -12.424 -0.000 1.481) 12.512 2.282 ( -11.742 -0.000 3.147) 12.156 2.357 ( 5.281 0.000 -2.746) 5.952 2.454 ( -5.322 -0.000 2.019) 5.692 2.657 ( 9.782 0.000 -2.660) 10.137 2.864 ( 2.795 0.000 3.186) 4.238 3.199 ( -5.220 -0.000 -10.951) 12.131 3.208 ( 3.280 0.000 6.122) 6.945 3.408 ( -0.870 -0.000 -2.864) 2.993 3.434 ( -1.874 -0.000 -3.656) 4.108 3.581 ( -5.177 -0.000 5.809) 7.781 3.658 ( -4.414 -0.000 6.401) 7.776 3.752 ( -2.753 -0.000 -7.033) 7.553 3.858 ( -3.812 -0.000 -0.730) 3.881 3.934 ( -6.104 -0.000 -3.442) 7.008 4.132 ( 5.278 0.000 1.401) 5.461 4.277 ( 6.681 0.000 -7.950) 10.385 4.352 ( 3.958 0.000 4.405) 5.922 4.779 ( -0.042 -0.000 1.894) 1.895 4.839 ( -0.801 -0.000 -0.253) 0.840 4.901 ( 1.585 0.000 0.311) 1.615 5.125 ( -4.243 -0.000 -2.778) 5.072 5.174 ( -2.719 -0.000 4.273) 5.065 5.417 ( 0.374 0.000 -2.291) 2.321 5.500 ( 2.171 0.000 -1.567) 2.677 5.570 ( 4.786 0.000 -0.299) 4.795 5.629 ( 0.801 0.000 -0.985) 1.269 5.773 ( 1.729 0.000 4.201) 4.543 5.820 ( 3.595 0.000 -1.892) 4.062 5.916 ( 1.619 0.000 2.800) 3.235 6.010 ( -4.127 -0.000 -2.443) 4.796 6.287 ( 5.057 0.000 0.087) 5.058 6.466 ( -11.064 -0.000 4.064) 11.787 6.783 ( -5.453 -0.000 -4.138) 6.846 7.164 ( -3.838 -0.000 14.232) 14.740 7.605 ( 1.684 0.000 -1.575) 2.306 7.635 ( -3.290 -0.000 -7.433) 8.128 7.650 ( 0.841 0.000 0.358) 0.914 7.905 ( 1.007 0.000 1.517) 1.821 7.956 ( -0.404 -0.000 0.096) 0.416 7.999 ( 1.233 0.000 0.189) 1.247 8.121 ( 2.455 0.000 2.551) 3.541 8.357 ( -2.173 -0.000 -4.234) 4.759 8.800 ( -14.623 -0.000 16.311) 21.906 9.197 ( -8.295 -0.000 0.145) 8.296 9.303 ( -6.684 -0.000 2.630) 7.183 9.472 ( 4.373 0.000 3.166) 5.398 9.602 ( 9.497 0.000 -3.151) 10.006 9.969 ( -7.005 -0.000 6.309) 9.428 10.230 ( 8.979 0.000 0.460) 8.990 10.271 ( -3.784 -0.000 2.789) 4.701 10.498 ( -1.025 -0.000 2.250) 2.472 10.535 ( -11.718 -0.000 20.475) 23.591 10.809 ( -6.110 -0.000 6.476) 8.903 11.023 ( 2.879 0.000 -0.656) 2.953 11.026 ( 8.398 0.000 -14.226) 16.520 11.360 ( 1.886 0.000 -2.575) 3.192 11.577 ( -0.528 -0.000 -0.519) 0.740 11.811 ( 0.581 0.000 0.563) 0.809 11.902 ( 2.891 0.000 4.278) 5.164 12.221 ( 2.584 0.000 3.437) 4.300 12.286 ( 1.286 0.000 -1.144) 1.721 12.835 ( -8.381 -0.000 -1.767) 8.566 12.883 ( -2.714 -0.000 2.928) 3.993 13.159 ( 7.552 0.000 -0.123) 7.553 13.170 ( -8.006 -0.000 5.500) 9.713 13.353 ( 0.164 0.000 1.856) 1.863 13.691 ( -7.480 -0.000 16.523) 18.137 14.028 ( -11.343 -0.000 13.522) 17.649 14.086 ( -11.372 -0.000 -2.849) 11.724 14.543 ( -9.355 -0.000 -2.290) 9.631 16.419 ( 5.424 0.000 4.418) 6.996 16.633 ( 7.864 0.000 -3.157) 8.474 17.195 ( 47.159 0.000 -80.788) 93.545 17.281 ( 7.470 0.000 -8.429) 11.263 20.550 ( -12.217 -0.000 18.010) 21.762 20.933 ( 3.815 0.000 -3.055) 4.888 21.095 ( -0.217 -0.000 10.896) 10.898 21.193 ( -13.712 -0.000 22.773) 26.583 21.253 ( 2.051 0.000 1.899) 2.795 21.668 ( -1.096 -0.000 -0.761) 1.334 22.395 ( -0.087 -0.000 -5.241) 5.242 22.616 ( 1.291 0.000 -0.004) 1.291 22.717 ( -4.950 -0.000 -6.886) 8.481 22.860 ( -0.315 -0.000 0.940) 0.991 23.151 ( 4.093 0.000 8.341) 9.291 23.451 ( -2.859 -0.000 1.511) 3.234 23.588 ( -0.024 -0.000 -1.903) 1.903 23.658 ( -0.616 -0.000 -0.813) 1.020 23.849 ( 0.502 0.000 -5.878) 5.899 24.953 ( 14.396 0.000 -22.066) 26.346 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( 23.157 -7.985 2.747) 24.649 1.062 ( 19.043 -13.481 12.898) 26.659 1.408 ( 7.310 -14.681 12.245) 20.467 1.505 ( 3.523 -7.902 6.613) 10.889 1.867 ( 0.442 -9.922 0.824) 9.966 2.111 ( -1.975 -16.381 1.229) 16.545 2.286 ( -5.679 -6.172 4.733) 9.631 2.439 ( -2.539 -8.897 2.700) 9.638 2.538 ( -0.195 -10.386 0.568) 10.403 2.769 ( 9.180 -5.238 -1.848) 10.730 2.918 ( 0.315 -1.952 3.029) 3.618 3.113 ( -4.002 -0.758 -14.576) 15.135 3.267 ( 4.363 0.488 6.763) 8.063 3.289 ( 0.741 7.933 1.060) 8.038 3.351 ( -6.012 0.591 -3.967) 7.227 3.530 ( -8.116 2.038 -4.460) 9.482 3.572 ( -5.912 3.007 3.590) 7.542 3.789 ( -5.609 -1.578 -1.805) 6.100 3.812 ( -3.466 -1.156 -1.238) 3.858 3.892 ( 3.425 0.464 -2.848) 4.479 4.162 ( 1.985 1.475 3.548) 4.325 4.313 ( 4.681 -0.244 -6.523) 8.033 4.426 ( 4.187 -2.741 6.135) 7.918 4.731 ( -6.837 0.553 -2.536) 7.313 4.869 ( 1.774 -1.432 1.375) 2.662 4.956 ( 3.075 -2.931 1.394) 4.471 5.108 ( -1.694 -0.749 -2.519) 3.127 5.168 ( -2.167 0.857 3.150) 3.918 5.352 ( -2.418 3.481 -2.054) 4.710 5.438 ( -1.955 4.091 -4.491) 6.382 5.550 ( 2.254 3.509 -2.456) 4.840 5.700 ( 0.104 3.025 -2.563) 3.966 5.752 ( 1.655 -2.896 1.298) 3.579 5.829 ( 7.468 4.389 5.974) 10.523 5.940 ( 4.340 -0.542 -0.089) 4.374 6.001 ( -1.207 -0.244 -2.022) 2.368 6.294 ( 2.824 1.031 -3.665) 4.740 6.492 ( -10.774 -8.217 -2.977) 13.873 6.693 ( -5.431 2.175 -1.725) 6.099 6.992 ( 3.309 14.958 10.613) 18.636 7.518 ( -0.650 2.366 -5.303) 5.843 7.599 ( 1.354 0.715 -1.776) 2.345 7.812 ( 0.452 -4.014 -1.286) 4.240 7.862 ( 0.284 -1.859 1.660) 2.508 7.949 ( 0.946 4.625 0.549) 4.753 7.987 ( -0.437 0.035 1.071) 1.158 8.190 ( 2.065 -1.829 4.067) 4.914 8.276 ( -3.063 2.992 -4.601) 6.285 8.744 ( -9.509 -1.104 3.448) 10.175 9.161 ( -7.951 -0.887 2.080) 8.267 9.302 ( -4.883 -2.887 6.032) 8.281 9.523 ( 7.188 2.290 3.202) 8.195 9.660 ( 6.839 -0.280 -4.141) 8.000 10.140 ( -2.844 -10.245 -2.345) 10.888 10.266 ( -0.145 -0.998 2.341) 2.549 10.352 ( 3.421 -5.049 2.265) 6.506 10.526 ( -2.352 -2.250 4.977) 5.947 10.658 ( -12.202 -10.547 7.101) 17.622 10.831 ( -13.349 -8.330 7.072) 17.251 11.009 ( 9.219 1.531 -11.425) 14.760 11.030 ( 2.445 0.459 -2.129) 3.274 11.342 ( 2.062 2.590 -0.969) 3.449 11.547 ( -0.551 2.491 -1.577) 2.999 11.822 ( -1.438 -0.779 -0.219) 1.650 11.943 ( 3.531 1.201 5.012) 6.248 12.219 ( 2.457 6.428 -1.031) 6.958 12.266 ( 5.686 1.558 5.571) 8.111 12.731 ( -7.678 1.604 -2.352) 8.189 12.907 ( -1.947 0.502 2.455) 3.173 13.002 ( -7.003 7.296 3.547) 10.718 13.150 ( 5.825 7.718 0.965) 9.718 13.371 ( -0.444 1.032 3.558) 3.731 13.676 ( -2.275 2.186 4.670) 5.636 13.854 ( -3.056 -0.122 -6.906) 7.553 14.169 ( -11.159 -8.005 4.889) 14.578 14.615 ( -16.337 -14.290 -1.048) 21.730 16.333 ( 19.057 20.328 -3.140) 28.041 16.555 ( 15.377 2.987 -4.156) 16.206 17.229 ( 9.360 -2.202 -29.841) 31.352 17.309 ( 2.332 -1.398 0.365) 2.744 20.484 ( -3.899 4.485 8.628) 10.476 20.960 ( 5.081 -0.118 -1.466) 5.289 21.132 ( -0.767 -0.255 3.261) 3.359 21.164 ( -2.864 3.242 11.209) 12.015 21.347 ( 3.122 -4.312 7.217) 8.968 21.714 ( -11.091 -2.283 -3.939) 11.989 22.449 ( -1.794 -4.276 -3.665) 5.910 22.697 ( -3.831 -11.397 -2.854) 12.357 22.735 ( -3.725 -7.389 -4.158) 9.261 22.872 ( -0.906 -2.172 0.134) 2.357 23.250 ( 3.989 -2.349 7.248) 8.600 23.445 ( -3.295 -1.121 2.306) 4.175 23.571 ( 0.051 0.354 -2.815) 2.838 23.647 ( -0.900 -0.042 -0.870) 1.252 23.799 ( 1.515 2.234 -7.065) 7.563 24.669 ( 17.519 25.151 -3.636) 30.866 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 20.449 -10.960 2.525) 23.338 1.401 ( -0.785 -7.427 5.000) 8.988 1.722 ( 3.178 -17.562 0.211) 17.848 1.833 ( 7.379 -13.225 15.657) 21.783 2.136 ( -0.702 -13.398 0.424) 13.423 2.281 ( -0.650 -6.907 1.673) 7.137 2.435 ( -8.636 -8.710 6.263) 13.772 2.683 ( -3.273 -14.410 3.313) 15.144 2.754 ( 0.317 -12.072 -3.525) 12.581 2.925 ( -3.875 -1.289 5.495) 6.847 2.959 ( 3.007 1.835 -3.136) 4.716 3.020 ( 0.915 -1.191 -8.168) 8.305 3.196 ( 1.528 2.085 -1.293) 2.890 3.221 ( -3.149 1.832 -1.691) 4.017 3.405 ( -4.652 -2.511 -2.050) 5.670 3.481 ( 6.685 -4.347 -3.045) 8.535 3.542 ( -1.753 -4.000 -2.067) 4.832 3.685 ( -3.795 -2.623 2.892) 5.445 3.814 ( -1.127 0.446 -2.535) 2.810 3.932 ( 6.812 2.135 4.389) 8.380 4.157 ( -1.778 1.724 6.716) 7.158 4.277 ( 1.758 3.740 -3.820) 5.628 4.513 ( -2.452 -0.417 -1.094) 2.717 4.696 ( 0.056 -2.557 0.138) 2.561 4.909 ( 0.499 -0.629 2.882) 2.991 5.050 ( -3.891 -4.441 -0.531) 5.929 5.078 ( 2.622 0.375 -1.372) 2.983 5.135 ( -0.694 2.162 -2.496) 3.374 5.271 ( -3.083 4.381 2.257) 5.813 5.321 ( 0.748 3.392 -3.297) 4.790 5.469 ( 0.566 3.225 -3.035) 4.465 5.630 ( 1.480 1.104 -1.217) 2.211 5.787 ( 7.059 5.654 1.659) 9.195 5.813 ( -1.600 5.225 3.283) 6.375 5.963 ( 1.614 -0.392 -5.856) 6.087 6.015 ( -0.260 -5.175 -2.097) 5.590 6.267 ( 2.396 1.585 -5.358) 6.079 6.484 ( -11.072 -3.105 -4.761) 12.446 6.626 ( -1.265 2.282 3.614) 4.458 6.874 ( 3.868 6.924 7.243) 10.741 7.462 ( -2.873 -0.324 -4.370) 5.240 7.593 ( 4.661 2.108 0.214) 5.120 7.742 ( 1.552 7.488 0.779) 7.686 7.809 ( 0.007 6.843 -0.031) 6.843 7.993 ( 0.069 -1.283 -1.861) 2.262 8.024 ( -0.523 -6.540 0.254) 6.566 8.157 ( -3.346 3.989 -2.514) 5.782 8.233 ( -2.111 0.506 3.287) 3.939 8.737 ( -4.562 -4.184 -1.569) 6.385 9.141 ( -4.023 -1.404 1.910) 4.670 9.375 ( -3.727 -4.287 7.095) 9.089 9.537 ( 8.956 5.376 3.754) 11.100 9.678 ( 2.860 0.056 -3.586) 4.587 10.220 ( 0.088 -2.560 -4.005) 4.754 10.349 ( 4.471 -3.477 4.031) 6.952 10.443 ( -0.781 -1.557 4.013) 4.374 10.594 ( -3.452 -5.362 3.923) 7.487 10.746 ( 0.163 -3.715 0.107) 3.720 10.890 ( -5.455 -4.477 -10.201) 12.404 11.047 ( 4.317 -0.487 -0.492) 4.372 11.075 ( -7.999 -9.592 6.180) 13.935 11.308 ( 0.025 0.949 -0.538) 1.091 11.464 ( -1.724 3.665 -1.102) 4.198 11.800 ( -3.622 0.623 -0.208) 3.681 11.971 ( 5.437 2.197 3.076) 6.622 12.094 ( 1.675 7.540 -2.173) 8.024 12.307 ( 4.357 2.964 4.812) 7.136 12.661 ( -3.314 -0.644 2.279) 4.073 12.781 ( -3.136 7.505 4.504) 9.298 12.934 ( -4.535 4.506 2.489) 6.861 13.048 ( 5.574 3.603 -3.228) 7.380 13.328 ( -1.047 3.105 0.538) 3.321 13.669 ( -0.966 -2.164 -1.492) 2.800 13.864 ( -2.282 -4.363 -4.882) 6.934 14.227 ( -8.674 -5.195 2.000) 10.307 14.736 ( -14.119 -12.984 -0.202) 19.183 16.126 ( 20.391 18.057 -3.370) 27.445 16.607 ( 9.531 2.354 -0.971) 9.866 17.147 ( -1.765 1.219 -11.748) 11.942 17.362 ( 1.627 -1.919 0.538) 2.573 20.425 ( -1.281 3.301 4.491) 5.718 20.980 ( 3.979 2.574 0.883) 4.821 21.130 ( -2.873 -0.519 -0.124) 2.922 21.187 ( 3.187 -1.084 5.263) 6.248 21.458 ( -1.626 -1.341 5.145) 5.560 21.618 ( -2.335 2.031 0.350) 3.114 22.449 ( -2.208 -1.041 -3.410) 4.194 22.800 ( -7.832 -8.646 -8.352) 14.348 22.866 ( -2.276 -7.027 2.207) 7.709 22.975 ( -1.372 -10.389 -1.007) 10.527 23.361 ( 1.268 -3.050 4.205) 5.347 23.458 ( -1.571 -1.155 2.623) 3.268 23.554 ( -0.162 -0.337 -2.384) 2.413 23.632 ( -1.248 0.338 -1.105) 1.701 23.739 ( 2.812 2.197 -4.855) 6.025 24.363 ( 13.935 22.050 1.406) 26.122 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.434 ( 2.191 1.429 3.500) 4.369 1.635 ( 8.358 -12.852 1.330) 15.389 1.990 ( -0.125 -3.130 -3.404) 4.626 2.136 ( 5.351 -8.242 8.772) 13.172 2.291 ( -1.242 -5.338 4.509) 7.097 2.424 ( 1.128 -4.940 2.205) 5.526 2.580 ( -3.880 -10.896 6.547) 13.291 2.755 ( -7.038 -2.243 -6.892) 10.103 2.876 ( -1.382 -0.668 -0.341) 1.572 2.952 ( -1.414 1.218 0.549) 1.945 3.004 ( -2.412 -2.464 -3.397) 4.841 3.024 ( -1.899 -11.777 0.389) 11.935 3.116 ( -1.429 -0.659 -2.604) 3.042 3.201 ( -7.583 3.544 -1.587) 8.520 3.321 ( 5.217 -1.266 -4.443) 6.968 3.539 ( 0.464 -0.089 -4.192) 4.218 3.650 ( -4.541 -5.358 -0.834) 7.073 3.782 ( 0.272 -1.662 -0.462) 1.746 3.944 ( 5.812 1.269 5.885) 8.368 4.027 ( 17.551 -9.459 6.326) 20.918 4.131 ( -2.276 5.228 9.337) 10.941 4.207 ( 2.298 1.305 -2.624) 3.724 4.441 ( -5.578 -0.225 -4.886) 7.418 4.721 ( 0.495 2.875 0.393) 2.944 4.966 ( 1.465 -3.959 -0.457) 4.246 5.008 ( -5.264 1.274 -1.571) 5.640 5.070 ( -1.767 1.988 -4.384) 5.128 5.105 ( 0.673 1.682 -1.986) 2.688 5.189 ( -5.410 -2.357 3.976) 7.115 5.316 ( 4.733 0.323 2.034) 5.162 5.445 ( -1.936 -2.854 -3.577) 4.969 5.655 ( -1.094 5.090 -2.051) 5.596 5.671 ( 1.711 5.180 5.466) 7.722 5.719 ( 8.257 5.141 -2.973) 10.170 5.961 ( 1.042 -0.662 -1.039) 1.614 6.102 ( -5.116 -6.471 -1.860) 8.457 6.226 ( 1.825 1.259 -5.642) 6.062 6.408 ( -7.483 -0.312 -2.404) 7.866 6.610 ( 0.003 1.464 4.020) 4.278 6.845 ( 4.863 3.871 4.739) 7.816 7.429 ( -3.520 -1.072 -2.440) 4.415 7.608 ( 5.294 1.139 -0.078) 5.415 7.625 ( 3.020 6.382 0.448) 7.075 7.693 ( -1.126 5.639 1.829) 6.034 7.990 ( 2.370 0.703 -5.465) 5.998 8.055 ( -6.660 1.188 0.324) 6.773 8.120 ( -0.615 -4.212 1.075) 4.390 8.198 ( -3.685 0.423 0.215) 3.715 8.786 ( 0.296 -3.150 -1.726) 3.604 9.146 ( -3.124 -1.913 -0.940) 3.782 9.418 ( -1.126 1.653 3.756) 4.256 9.535 ( 6.673 3.660 4.332) 8.757 9.687 ( 1.163 -0.470 -0.417) 1.322 10.224 ( -3.120 -1.681 -4.144) 5.453 10.426 ( 2.675 1.237 4.525) 5.400 10.516 ( 2.017 -2.958 5.966) 6.957 10.669 ( -2.461 -2.588 0.192) 3.577 10.809 ( 3.233 -2.216 -0.566) 3.960 10.846 ( 1.146 -0.300 -11.788) 11.848 11.107 ( 0.566 0.541 3.431) 3.519 11.155 ( -6.286 -3.494 4.544) 8.507 11.305 ( 1.824 -1.556 -5.488) 5.989 11.474 ( -6.400 -9.149 4.613) 12.081 11.753 ( -2.939 1.172 1.772) 3.627 11.924 ( 4.080 8.120 -3.936) 9.903 12.023 ( 4.453 1.212 1.503) 4.853 12.279 ( -0.524 2.803 2.639) 3.885 12.592 ( -10.450 5.634 -2.695) 12.174 12.726 ( -1.692 0.073 7.703) 7.887 12.867 ( 9.285 0.931 1.571) 9.463 13.046 ( 6.233 3.016 -2.228) 7.274 13.281 ( 0.121 0.500 -1.856) 1.926 13.693 ( -3.022 -2.191 -0.173) 3.737 13.895 ( -3.421 -3.727 -3.399) 6.095 14.252 ( -4.680 -3.839 -0.134) 6.054 14.849 ( -11.283 -10.476 0.811) 15.418 15.963 ( 15.570 14.812 -1.287) 21.528 16.608 ( 4.648 3.521 -0.467) 5.850 17.068 ( -4.679 -0.873 -4.524) 6.567 17.404 ( 1.181 -0.911 0.345) 1.531 20.385 ( -0.365 2.224 2.143) 3.110 20.946 ( 1.312 3.455 1.014) 3.833 21.120 ( -2.397 -1.201 -2.457) 3.637 21.258 ( 2.584 -0.321 2.038) 3.306 21.463 ( -0.986 -2.191 3.397) 4.161 21.605 ( 3.143 3.863 4.210) 6.522 22.446 ( -1.721 -2.464 -2.662) 4.014 22.838 ( -5.546 -6.189 -7.013) 10.874 22.959 ( -3.993 -5.293 -0.728) 6.670 23.157 ( 0.234 -9.046 0.473) 9.062 23.395 ( -1.762 -0.124 0.297) 1.791 23.497 ( 0.639 -1.829 0.744) 2.076 23.561 ( -1.778 -1.568 0.350) 2.396 23.605 ( -0.140 0.785 -0.677) 1.046 23.726 ( 2.193 0.215 -0.570) 2.276 24.091 ( 9.132 18.908 1.889) 21.082 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( -4.983 9.145 0.750) 10.442 1.832 ( 1.042 2.666 -6.924) 7.492 1.891 ( 4.596 7.605 2.512) 9.235 2.240 ( 0.238 -3.400 0.469) 3.440 2.440 ( 4.164 -0.353 9.571) 10.444 2.467 ( 0.338 2.998 0.213) 3.025 2.688 ( -0.835 1.658 -2.393) 3.029 2.734 ( -3.019 -2.123 3.064) 4.797 2.836 ( -2.113 2.100 -6.028) 6.724 2.929 ( -3.861 -4.142 1.845) 5.955 3.024 ( -0.794 -8.242 -9.019) 12.244 3.055 ( -6.380 1.709 0.160) 6.607 3.168 ( -1.998 -0.031 -1.946) 2.789 3.224 ( -0.888 -7.686 7.899) 11.057 3.369 ( 5.959 0.628 -6.400) 8.767 3.525 ( 3.564 0.113 -3.083) 4.714 3.622 ( -5.722 -1.305 2.224) 6.276 3.854 ( -0.539 -0.406 2.074) 2.181 3.930 ( 2.402 5.247 4.478) 7.304 4.080 ( 2.805 3.524 8.437) 9.564 4.154 ( 3.548 5.886 -2.030) 7.167 4.280 ( 12.472 1.272 -1.624) 12.642 4.422 ( -6.005 -3.127 -1.546) 6.945 4.666 ( -1.692 0.774 -0.991) 2.108 4.904 ( -6.011 -1.474 0.338) 6.198 4.979 ( -0.088 2.329 -4.899) 5.426 5.066 ( -2.415 -1.571 -0.111) 2.883 5.100 ( 4.145 -1.434 -3.335) 5.510 5.289 ( -3.575 -8.322 1.579) 9.194 5.338 ( -0.985 2.140 7.014) 7.399 5.480 ( 2.887 1.976 -2.816) 4.491 5.519 ( 0.583 2.664 0.957) 2.890 5.570 ( -0.259 3.377 -2.560) 4.246 5.789 ( 6.702 -1.739 1.312) 7.047 5.999 ( 0.608 -1.701 4.228) 4.598 6.122 ( -5.824 -3.136 1.038) 6.695 6.228 ( 0.251 -2.252 -5.626) 6.065 6.347 ( -3.777 0.823 -3.362) 5.123 6.625 ( -0.327 -1.687 3.378) 3.790 6.857 ( 5.777 2.280 3.438) 7.098 7.423 ( -2.391 -2.242 -1.247) 3.507 7.570 ( -0.055 2.285 0.963) 2.481 7.606 ( 0.931 2.232 -0.525) 2.475 7.646 ( 4.814 -0.217 0.307) 4.829 7.986 ( -5.058 -3.630 -3.365) 7.077 8.009 ( 0.675 0.543 2.126) 2.296 8.145 ( -3.835 -0.712 -1.874) 4.327 8.219 ( 2.107 -2.895 0.861) 3.683 8.813 ( 0.990 -0.051 -2.915) 3.079 9.160 ( -3.497 -3.745 -1.903) 5.466 9.365 ( 2.909 5.510 3.228) 7.017 9.531 ( 0.711 2.405 1.044) 2.717 9.701 ( 2.007 1.230 1.622) 2.859 10.181 ( -6.965 -0.709 -5.059) 8.637 10.421 ( 2.494 5.001 2.887) 6.290 10.570 ( 2.835 2.255 6.764) 7.673 10.683 ( -0.777 -2.145 0.046) 2.282 10.779 ( 1.247 1.985 -9.219) 9.512 10.898 ( -0.996 -2.874 3.899) 4.945 11.024 ( -2.527 3.857 -3.372) 5.712 11.233 ( -1.402 -4.837 5.918) 7.771 11.366 ( 6.818 -2.504 -5.854) 9.329 11.653 ( -6.564 -11.506 5.675) 14.412 11.747 ( 1.311 0.057 2.641) 2.949 11.784 ( 1.241 6.195 -4.297) 7.641 12.068 ( 6.737 0.352 1.391) 6.888 12.232 ( -2.528 2.667 1.143) 3.849 12.400 ( -8.791 1.946 -4.345) 9.998 12.730 ( -2.547 -1.316 1.248) 3.127 12.987 ( 0.117 1.678 1.517) 2.266 13.034 ( 18.224 0.733 0.615) 18.249 13.293 ( 1.989 -1.409 -2.244) 3.314 13.698 ( -3.171 -1.158 1.272) 3.607 13.895 ( -6.946 -2.350 -2.093) 7.625 14.308 ( 0.787 -4.216 -0.798) 4.362 14.936 ( -8.648 -7.189 1.703) 11.374 15.823 ( 8.674 11.020 -0.082) 14.025 16.556 ( 0.392 3.910 -0.315) 3.942 17.067 ( -3.966 -4.352 -0.365) 5.899 17.417 ( 0.745 0.581 0.214) 0.968 20.359 ( -0.068 0.990 0.247) 1.023 20.903 ( -0.027 1.710 -0.097) 1.713 21.096 ( -2.326 0.230 -2.740) 3.601 21.268 ( 0.766 0.369 0.899) 1.238 21.531 ( 0.572 5.840 3.153) 6.661 21.606 ( 6.007 -6.147 3.818) 9.404 22.478 ( 0.143 -2.359 -0.819) 2.501 22.862 ( -3.633 -4.046 -5.682) 7.865 22.982 ( -3.891 -1.998 -3.084) 5.352 23.278 ( 2.148 -0.302 0.365) 2.200 23.398 ( -1.494 -3.594 0.429) 3.915 23.510 ( -0.729 0.259 -1.319) 1.529 23.569 ( -1.624 -1.122 -0.418) 2.018 23.620 ( 0.047 -1.461 2.837) 3.192 23.743 ( -0.347 -0.422 1.216) 1.333 23.847 ( 4.575 14.084 1.318) 14.867 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -6.382 15.593 -0.628) 16.861 1.506 ( -3.611 19.990 -6.705) 21.391 1.793 ( 2.206 13.871 -0.119) 14.046 2.206 ( 1.757 14.888 1.709) 15.089 2.337 ( 5.432 7.740 1.243) 9.537 2.453 ( -2.850 1.948 0.859) 3.557 2.629 ( 1.237 5.135 0.412) 5.298 2.790 ( -0.612 -5.952 2.256) 6.394 2.796 ( -0.842 -1.681 -3.396) 3.881 2.892 ( -5.515 3.866 -3.263) 7.484 2.971 ( 0.501 12.555 -3.621) 13.077 3.030 ( -2.921 -4.016 1.853) 5.300 3.211 ( 0.825 5.668 0.913) 5.800 3.257 ( -0.659 -6.876 0.012) 6.908 3.483 ( 2.733 5.418 -1.292) 6.204 3.495 ( 0.725 -7.561 1.718) 7.788 3.618 ( -1.217 3.481 -1.074) 3.841 3.805 ( 5.145 1.153 2.772) 5.957 3.889 ( -1.060 0.524 3.189) 3.402 4.095 ( -0.691 0.384 0.120) 0.800 4.130 ( 3.227 -0.061 7.812) 8.453 4.272 ( 6.871 4.361 -6.215) 10.240 4.365 ( -5.683 3.277 -2.479) 7.013 4.637 ( -1.807 0.070 -0.765) 1.964 4.869 ( -5.180 0.349 -2.984) 5.988 4.997 ( 5.076 -3.825 -1.102) 6.451 5.123 ( 1.590 -2.673 -4.070) 5.122 5.139 ( -1.319 -3.413 3.880) 5.333 5.283 ( -5.765 -2.627 -0.604) 6.364 5.354 ( -0.270 6.679 1.860) 6.938 5.434 ( 4.232 -2.032 5.531) 7.255 5.550 ( -2.263 -1.687 1.743) 3.317 5.570 ( 0.128 -2.779 -4.554) 5.336 5.872 ( 4.288 -1.257 -0.025) 4.469 6.094 ( 2.683 -1.574 7.972) 8.557 6.149 ( -0.584 3.412 0.357) 3.480 6.190 ( -3.565 -1.805 1.675) 4.333 6.312 ( -2.728 -5.500 -9.840) 11.598 6.695 ( -0.331 -3.760 1.485) 4.056 6.877 ( 4.098 2.049 1.955) 4.981 7.453 ( -1.592 -2.148 -0.412) 2.705 7.543 ( -1.011 -2.013 1.019) 2.472 7.642 ( 1.186 -4.534 -2.194) 5.175 7.727 ( 3.543 -4.093 2.065) 5.794 7.969 ( -3.763 0.182 1.034) 3.907 8.057 ( 0.939 -1.346 -0.154) 1.648 8.131 ( -0.685 -1.386 -2.006) 2.533 8.291 ( 2.067 -2.314 1.015) 3.265 8.777 ( -0.647 1.391 -4.142) 4.417 9.203 ( -2.930 -4.127 -0.304) 5.070 9.337 ( 7.277 3.035 1.958) 8.124 9.467 ( -4.508 2.625 -0.321) 5.226 9.671 ( 1.074 4.678 1.018) 4.906 10.099 ( -6.177 -0.153 -3.741) 7.223 10.329 ( 0.532 5.502 0.614) 5.561 10.584 ( 2.616 3.954 6.903) 8.374 10.670 ( 2.305 4.769 -8.436) 9.961 10.739 ( -1.676 -2.869 2.415) 4.107 10.905 ( -2.867 2.120 1.570) 3.896 10.965 ( -0.879 -1.229 -0.648) 1.644 11.379 ( 3.988 -7.170 -1.924) 8.427 11.395 ( 0.117 0.820 2.568) 2.698 11.669 ( 2.567 4.990 -1.776) 5.886 11.797 ( 1.401 -2.468 2.030) 3.489 11.834 ( -0.821 -7.995 1.442) 8.165 12.093 ( 2.984 3.377 0.894) 4.594 12.146 ( -1.986 3.309 -0.799) 3.941 12.391 ( -3.392 -8.849 -3.655) 10.157 12.767 ( -0.623 -4.096 -0.253) 4.151 12.941 ( 0.234 1.743 -0.512) 1.831 13.180 ( 11.844 0.838 3.042) 12.257 13.320 ( 1.375 -0.980 -3.370) 3.769 13.709 ( 1.900 0.146 0.941) 2.125 13.852 ( -9.622 -1.945 -0.231) 9.819 14.384 ( 2.622 -1.743 -1.004) 3.304 14.993 ( -4.137 -4.185 1.667) 6.116 15.703 ( 0.763 6.267 0.505) 6.334 16.477 ( -1.727 3.658 -0.095) 4.046 17.147 ( -2.253 -6.208 1.757) 6.834 17.403 ( 0.528 1.371 0.364) 1.513 20.353 ( 0.082 -0.571 -0.854) 1.031 20.888 ( -0.448 -0.339 -0.067) 0.566 21.053 ( -1.233 1.064 -2.333) 2.845 21.273 ( 0.816 0.794 1.403) 1.807 21.412 ( -0.910 6.568 -0.774) 6.676 21.845 ( 7.575 -9.905 5.300) 13.549 22.513 ( 0.906 -0.885 0.101) 1.270 22.866 ( -1.594 -1.525 -3.206) 3.892 22.950 ( -0.884 0.897 -2.912) 3.173 23.211 ( -2.021 5.979 -1.616) 6.515 23.437 ( 2.351 1.591 -1.413) 3.170 23.522 ( 3.100 -1.141 0.348) 3.322 23.565 ( -2.358 0.158 1.300) 2.697 23.664 ( -1.086 1.537 4.207) 4.609 23.692 ( 0.233 0.549 -0.735) 0.947 23.737 ( -4.860 -0.077 0.052) 4.861 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( 0.000 18.636 0.000) 18.636 1.034 ( 0.000 25.842 0.000) 25.842 1.388 ( 0.000 29.005 0.000) 29.005 1.835 ( 0.000 23.685 0.000) 23.685 2.272 ( 0.000 8.531 0.000) 8.531 2.324 ( 0.000 6.016 0.000) 6.016 2.477 ( 0.000 11.273 0.000) 11.273 2.730 ( 0.000 10.824 0.000) 10.824 2.731 ( 0.000 8.235 0.000) 8.235 2.802 ( 0.000 8.458 0.000) 8.458 2.910 ( 0.000 8.297 0.000) 8.297 2.987 ( -0.000 -12.014 -0.000) 12.014 3.097 ( 0.000 1.801 0.000) 1.801 3.371 ( 0.000 3.077 0.000) 3.077 3.400 ( -0.000 -5.654 -0.000) 5.654 3.631 ( -0.000 -1.611 -0.000) 1.611 3.645 ( -0.000 -7.582 -0.000) 7.582 3.782 ( 0.000 2.381 0.000) 2.381 3.968 ( -0.000 -3.852 -0.000) 3.852 4.093 ( 0.000 9.592 0.000) 9.592 4.135 ( -0.000 -3.212 -0.000) 3.212 4.240 ( 0.000 3.528 0.000) 3.528 4.241 ( -0.000 -1.812 -0.000) 1.812 4.671 ( -0.000 -4.862 -0.000) 4.862 4.837 ( -0.000 -0.243 -0.000) 0.243 5.072 ( 0.000 6.708 0.000) 6.708 5.131 ( -0.000 -6.400 -0.000) 6.400 5.177 ( -0.000 -0.826 -0.000) 0.826 5.319 ( -0.000 -2.340 -0.000) 2.340 5.361 ( -0.000 -6.200 -0.000) 6.200 5.534 ( -0.000 -2.801 -0.000) 2.801 5.559 ( -0.000 -1.992 -0.000) 1.992 5.611 ( -0.000 -5.626 -0.000) 5.626 5.903 ( -0.000 -0.313 -0.000) 0.313 5.942 ( 0.000 12.103 0.000) 12.103 6.153 ( 0.000 1.373 0.000) 1.373 6.249 ( -0.000 -1.218 -0.000) 1.218 6.434 ( -0.000 -11.005 -0.000) 11.005 6.744 ( -0.000 -1.029 -0.000) 1.029 6.868 ( 0.000 1.129 0.000) 1.129 7.466 ( -0.000 -1.081 -0.000) 1.081 7.640 ( -0.000 -6.596 -0.000) 6.596 7.730 ( -0.000 -3.594 -0.000) 3.594 7.852 ( -0.000 -6.633 -0.000) 6.633 7.938 ( 0.000 1.993 0.000) 1.993 8.010 ( 0.000 6.084 0.000) 6.084 8.152 ( -0.000 -0.956 -0.000) 0.956 8.344 ( -0.000 -2.017 -0.000) 2.017 8.745 ( 0.000 0.010 0.000) 0.010 9.263 ( -0.000 -3.950 -0.000) 3.950 9.338 ( 0.000 3.562 0.000) 3.562 9.420 ( -0.000 -2.157 -0.000) 2.157 9.572 ( 0.000 5.248 0.000) 5.248 10.077 ( -0.000 -1.275 -0.000) 1.275 10.267 ( 0.000 1.464 0.000) 1.464 10.520 ( 0.000 5.877 0.000) 5.877 10.541 ( 0.000 6.604 0.000) 6.604 10.812 ( -0.000 -4.500 -0.000) 4.500 10.858 ( 0.000 1.733 0.000) 1.733 10.985 ( -0.000 -1.150 -0.000) 1.150 11.374 ( 0.000 1.195 0.000) 1.195 11.515 ( -0.000 -4.749 -0.000) 4.749 11.632 ( 0.000 0.732 0.000) 0.732 11.850 ( -0.000 -0.493 -0.000) 0.493 11.940 ( -0.000 -3.966 -0.000) 3.966 12.027 ( 0.000 5.867 0.000) 5.867 12.102 ( -0.000 -2.172 -0.000) 2.172 12.592 ( -0.000 -14.367 -0.000) 14.367 12.867 ( -0.000 -6.515 -0.000) 6.515 12.925 ( 0.000 0.030 0.000) 0.030 13.215 ( 0.000 2.494 0.000) 2.494 13.306 ( 0.000 0.804 0.000) 0.804 13.665 ( 0.000 6.330 0.000) 6.330 13.872 ( -0.000 -4.653 -0.000) 4.653 14.375 ( 0.000 3.743 0.000) 3.743 15.051 ( -0.000 -2.908 -0.000) 2.908 15.620 ( 0.000 1.919 0.000) 1.919 16.404 ( 0.000 2.925 0.000) 2.925 17.242 ( -0.000 -3.424 -0.000) 3.424 17.397 ( -0.000 -0.975 -0.000) 0.975 20.373 ( -0.000 -1.787 -0.000) 1.787 20.907 ( -0.000 -1.764 -0.000) 1.764 21.022 ( 0.000 0.727 0.000) 0.727 21.262 ( 0.000 1.439 0.000) 1.439 21.278 ( 0.000 6.644 0.000) 6.644 22.115 ( -0.000 -12.214 -0.000) 12.214 22.525 ( -0.000 -0.007 -0.000) 0.007 22.863 ( 0.000 0.271 0.000) 0.271 22.932 ( 0.000 0.735 0.000) 0.735 23.037 ( 0.000 8.522 0.000) 8.522 23.455 ( -0.000 -0.407 -0.000) 0.407 23.474 ( 0.000 5.687 0.000) 5.687 23.580 ( -0.000 -1.145 -0.000) 1.145 23.597 ( 0.000 2.501 0.000) 2.501 23.679 ( 0.000 1.332 0.000) 1.332 23.776 ( -0.000 -4.859 -0.000) 4.859 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( 15.532 0.000 14.475) 21.232 1.185 ( 25.646 0.000 3.633) 25.902 1.259 ( 3.657 0.000 4.825) 6.054 1.500 ( -8.604 -0.000 3.240) 9.194 1.684 ( -5.987 -0.000 -6.145) 8.579 2.130 ( 22.874 0.000 16.527) 28.220 2.196 ( -5.707 -0.000 7.583) 9.491 2.377 ( -6.422 -0.000 3.502) 7.315 2.449 ( 7.776 0.000 4.885) 9.183 2.787 ( 8.882 0.000 -2.245) 9.161 2.899 ( -4.215 -0.000 3.602) 5.545 2.953 ( -5.945 -0.000 -17.274) 18.268 3.243 ( -11.405 -0.000 -5.834) 12.810 3.313 ( -4.916 -0.000 -4.296) 6.529 3.378 ( 8.077 0.000 5.582) 9.818 3.519 ( -6.883 -0.000 1.865) 7.131 3.650 ( -7.114 -0.000 10.792) 12.926 3.659 ( 0.846 0.000 -9.141) 9.180 3.793 ( -1.796 -0.000 -0.750) 1.946 3.915 ( 4.397 0.000 2.326) 4.974 4.215 ( 1.186 0.000 3.258) 3.467 4.303 ( 7.208 0.000 -9.266) 11.739 4.450 ( 1.366 0.000 5.192) 5.369 4.585 ( -14.740 -0.000 -9.135) 17.341 4.905 ( 4.110 0.000 4.132) 5.828 4.989 ( 5.482 0.000 4.122) 6.859 5.115 ( 2.612 0.000 1.995) 3.287 5.175 ( -2.378 -0.000 3.483) 4.217 5.354 ( -2.922 -0.000 -3.905) 4.877 5.422 ( -3.970 -0.000 -7.179) 8.204 5.561 ( 0.279 0.000 -8.651) 8.655 5.674 ( 2.796 0.000 0.427) 2.829 5.773 ( -1.927 -0.000 -0.313) 1.952 5.972 ( 4.101 0.000 -0.976) 4.216 5.993 ( 1.865 0.000 3.431) 3.905 6.037 ( 11.050 0.000 6.366) 12.753 6.264 ( -11.035 -0.000 -5.130) 12.169 6.324 ( 0.423 0.000 -0.815) 0.918 6.636 ( -5.897 -0.000 -2.782) 6.520 7.247 ( -0.031 -0.000 6.042) 6.042 7.505 ( -0.775 -0.000 -4.718) 4.781 7.654 ( 0.230 0.000 -1.210) 1.231 7.687 ( 6.277 0.000 -0.174) 6.280 7.880 ( -4.240 -0.000 0.239) 4.247 7.948 ( -2.062 -0.000 1.414) 2.501 8.027 ( 2.571 0.000 -0.925) 2.732 8.222 ( 4.738 0.000 3.693) 6.007 8.260 ( -3.513 -0.000 -4.540) 5.741 8.650 ( -13.772 -0.000 2.461) 13.990 9.036 ( -10.560 -0.000 2.104) 10.768 9.301 ( -3.457 -0.000 11.432) 11.943 9.620 ( 6.984 0.000 6.229) 9.359 9.688 ( 6.182 0.000 -6.085) 8.674 9.949 ( -3.186 -0.000 5.320) 6.201 10.240 ( -2.328 -0.000 1.657) 2.857 10.356 ( 1.522 0.000 2.934) 3.305 10.537 ( 4.590 0.000 1.645) 4.876 10.548 ( -5.074 -0.000 8.376) 9.793 10.753 ( -6.448 -0.000 3.859) 7.514 11.023 ( -2.387 -0.000 1.108) 2.632 11.025 ( 7.456 0.000 -11.711) 13.883 11.417 ( 7.593 0.000 -2.254) 7.921 11.561 ( 0.263 0.000 -1.647) 1.668 11.792 ( -3.039 -0.000 -1.622) 3.445 12.028 ( 5.033 0.000 6.175) 7.967 12.334 ( 5.224 0.000 0.534) 5.252 12.334 ( 4.935 0.000 5.453) 7.354 12.651 ( -9.417 -0.000 -4.272) 10.340 12.859 ( -1.243 -0.000 -1.250) 1.763 13.070 ( -8.996 -0.000 4.335) 9.986 13.290 ( 7.952 0.000 0.037) 7.953 13.403 ( 1.445 0.000 3.743) 4.012 13.706 ( -1.861 -0.000 -0.240) 1.877 13.806 ( -14.884 -0.000 -5.948) 16.029 13.987 ( -6.297 -0.000 8.316) 10.431 14.308 ( -14.557 -0.000 -2.372) 14.749 16.585 ( 7.779 0.000 4.355) 8.915 16.750 ( 8.812 0.000 -2.756) 9.233 17.126 ( 17.619 0.000 -35.185) 39.350 17.322 ( 3.602 0.000 -1.633) 3.955 20.530 ( -5.129 -0.000 6.035) 7.920 20.981 ( 4.824 0.000 -1.918) 5.192 21.214 ( -6.114 -0.000 12.510) 13.924 21.232 ( 0.030 0.000 13.142) 13.142 21.320 ( 2.298 0.000 3.825) 4.462 21.653 ( 0.408 0.000 1.442) 1.498 22.291 ( -1.510 -0.000 -11.664) 11.761 22.600 ( -2.734 -0.000 -2.389) 3.630 22.633 ( -0.828 -0.000 -0.650) 1.053 22.834 ( -1.926 -0.000 -1.293) 2.320 23.294 ( 3.400 0.000 6.277) 7.138 23.422 ( -3.078 -0.000 3.101) 4.369 23.559 ( -0.071 -0.000 -3.271) 3.272 23.634 ( -0.849 -0.000 -1.200) 1.470 23.793 ( 2.172 0.000 -8.048) 8.336 24.965 ( 5.523 0.000 -7.586) 9.384 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 3.515 -6.011 10.082) 12.253 1.390 ( 2.441 -5.951 -7.281) 9.715 1.532 ( 21.797 -6.374 5.696) 23.413 1.675 ( 2.659 -20.714 15.594) 26.064 1.783 ( -5.809 -15.680 -4.364) 17.282 2.228 ( -3.519 -3.015 5.807) 7.429 2.337 ( 3.634 -0.906 9.028) 9.774 2.434 ( 0.006 -9.396 2.089) 9.625 2.622 ( 3.812 -3.341 2.919) 5.850 2.828 ( -6.918 -2.288 -10.892) 13.105 2.901 ( -1.651 -4.566 -1.380) 5.048 2.970 ( 8.256 -6.926 4.267) 11.590 3.116 ( -10.662 -0.552 -5.727) 12.116 3.263 ( -1.706 -2.028 -2.738) 3.811 3.346 ( -2.227 7.698 -2.497) 8.394 3.518 ( -1.098 1.362 -0.709) 1.888 3.553 ( 7.090 0.980 6.024) 9.355 3.664 ( -2.836 3.165 -0.925) 4.349 3.784 ( 1.235 -2.956 -0.628) 3.265 4.013 ( 4.966 -2.087 7.446) 9.190 4.214 ( -0.439 1.515 3.557) 3.891 4.298 ( 1.337 1.450 -8.112) 8.348 4.436 ( -8.261 -1.118 -6.979) 10.872 4.573 ( -0.162 -8.387 4.800) 9.664 4.961 ( 3.210 0.449 3.869) 5.048 5.028 ( 0.335 1.963 4.541) 4.959 5.129 ( 4.594 2.452 -1.899) 5.543 5.151 ( -1.076 1.783 -0.657) 2.184 5.268 ( -7.395 1.547 -0.908) 7.610 5.352 ( -0.569 1.349 -4.722) 4.944 5.504 ( -0.216 1.078 -10.274) 10.333 5.676 ( 0.701 3.939 -0.945) 4.111 5.764 ( -0.370 -4.682 0.653) 4.742 5.973 ( 3.152 4.794 2.800) 6.384 5.981 ( 2.432 2.158 -0.122) 3.253 6.067 ( 2.421 6.243 -2.393) 7.111 6.247 ( -2.483 -4.859 -1.117) 5.570 6.305 ( -3.723 -0.695 -3.066) 4.873 6.609 ( -3.141 -1.629 0.586) 3.586 7.136 ( 2.910 11.143 6.051) 13.009 7.454 ( 0.347 2.484 -2.673) 3.666 7.665 ( 4.953 0.124 -0.527) 4.982 7.804 ( 1.356 -1.226 -1.136) 2.152 7.843 ( -2.062 -4.186 -1.648) 4.949 7.942 ( -3.466 0.511 1.986) 4.027 8.004 ( 2.720 3.714 -0.934) 4.697 8.165 ( -4.474 2.809 -3.271) 6.213 8.281 ( 1.606 1.162 3.529) 4.048 8.572 ( -9.197 -4.268 -3.413) 10.699 9.045 ( -7.357 -5.509 3.534) 9.847 9.352 ( -1.978 -1.481 12.238) 12.485 9.676 ( 3.913 1.690 -7.109) 8.289 9.713 ( 8.016 1.254 5.271) 9.675 10.093 ( -1.262 -11.657 0.561) 11.738 10.258 ( -3.248 -3.769 2.378) 5.514 10.402 ( -3.620 -4.262 3.881) 6.807 10.519 ( -2.588 0.549 2.681) 3.767 10.655 ( 4.404 -4.604 1.837) 6.631 10.730 ( -4.961 -1.583 0.595) 5.241 11.019 ( 1.638 -0.291 -3.089) 3.509 11.038 ( 1.899 -1.603 -0.396) 2.517 11.417 ( 5.713 5.238 -0.330) 7.758 11.521 ( -0.302 3.595 -2.032) 4.141 11.754 ( -4.738 -0.858 -1.894) 5.174 12.083 ( 6.054 2.071 5.136) 8.204 12.268 ( 4.284 8.913 -0.971) 9.937 12.415 ( 3.284 2.015 4.054) 5.593 12.585 ( -5.096 -3.229 -1.216) 6.154 12.897 ( -0.582 -4.593 -0.237) 4.636 12.930 ( -5.518 8.115 3.917) 10.567 13.238 ( 2.590 11.079 0.678) 11.397 13.399 ( 0.406 3.644 1.577) 3.992 13.614 ( -4.270 -0.018 -2.977) 5.205 13.726 ( -3.269 -3.956 -6.137) 8.000 14.054 ( -7.487 -5.937 3.265) 10.098 14.347 ( -13.763 -14.839 -0.085) 20.239 16.565 ( 11.851 12.040 0.141) 16.895 16.751 ( 11.045 4.014 -2.458) 12.006 17.079 ( 2.111 0.957 -16.998) 17.155 17.353 ( 2.327 -1.104 0.043) 2.576 20.492 ( -2.561 2.619 3.862) 5.323 21.020 ( 4.018 -0.743 -2.034) 4.564 21.188 ( -1.760 5.976 5.996) 8.646 21.237 ( 1.700 -0.039 8.679) 8.844 21.414 ( -3.597 -2.078 3.250) 5.275 21.682 ( 5.043 0.118 7.684) 9.192 22.336 ( -3.424 -8.738 -9.370) 13.262 22.513 ( -6.846 -1.490 -7.115) 9.986 22.718 ( -2.842 -7.514 -0.405) 8.044 22.858 ( 1.063 -4.057 0.097) 4.195 23.359 ( 1.626 -0.927 4.202) 4.600 23.432 ( -1.728 -1.709 3.395) 4.175 23.537 ( -0.217 0.241 -3.123) 3.139 23.621 ( -0.746 -0.017 -1.080) 1.313 23.763 ( 2.875 1.072 -6.380) 7.079 24.817 ( 6.164 15.397 -2.209) 16.732 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( -1.031 -10.523 2.692) 10.911 1.584 ( 10.924 -8.434 4.373) 14.477 1.817 ( 9.060 -7.185 -1.240) 11.629 2.018 ( -2.691 -12.755 -1.057) 13.078 2.174 ( 4.748 -17.882 16.686) 24.915 2.291 ( -5.235 -6.699 1.091) 8.571 2.462 ( 4.078 -4.519 9.089) 10.938 2.591 ( -7.022 -3.455 -2.784) 8.306 2.682 ( -3.040 -12.937 -5.519) 14.389 2.814 ( -1.350 -5.418 -7.499) 9.349 2.935 ( -4.147 -1.866 -3.267) 5.599 3.007 ( -6.918 -0.348 -5.474) 8.829 3.066 ( -1.913 4.020 11.411) 12.248 3.231 ( -1.986 -0.813 -0.928) 2.338 3.315 ( 0.566 4.732 -12.041) 12.950 3.466 ( 2.866 -2.089 -1.170) 3.735 3.559 ( 1.934 -4.158 3.032) 5.497 3.767 ( -1.520 -2.327 1.781) 3.301 3.917 ( 7.860 -8.351 1.202) 11.531 4.110 ( 7.311 0.844 8.329) 11.114 4.219 ( 2.348 -0.976 -0.747) 2.650 4.239 ( 0.406 1.999 5.342) 5.718 4.384 ( -1.610 -1.143 -6.525) 6.818 4.751 ( 2.052 -5.607 2.853) 6.617 4.932 ( -2.383 4.374 1.727) 5.272 4.983 ( -2.155 2.759 -1.092) 3.667 5.071 ( -1.231 1.306 -2.587) 3.148 5.153 ( -0.063 2.543 1.306) 2.860 5.165 ( -4.920 0.033 0.783) 4.982 5.301 ( -2.723 0.878 -1.359) 3.167 5.415 ( 0.271 1.364 -9.504) 9.605 5.689 ( 5.273 -1.142 0.777) 5.451 5.801 ( -0.517 4.201 -1.029) 4.356 5.892 ( 2.288 3.462 -0.566) 4.188 5.952 ( -0.986 1.100 -1.416) 2.046 5.975 ( 2.138 1.624 -0.676) 2.769 6.226 ( -3.414 2.555 -6.268) 7.581 6.323 ( -2.722 -3.704 2.674) 5.318 6.624 ( -1.470 -0.793 1.889) 2.522 7.022 ( 4.379 7.628 4.784) 10.012 7.401 ( -0.740 1.933 -1.249) 2.417 7.703 ( 6.904 2.125 1.047) 7.299 7.759 ( 0.016 3.427 -0.318) 3.442 7.805 ( -0.108 6.538 -0.990) 6.614 7.965 ( 0.082 0.647 -1.841) 1.953 8.002 ( -0.860 -6.023 -2.951) 6.762 8.045 ( -6.485 2.555 0.119) 6.971 8.231 ( -2.081 4.443 2.509) 5.511 8.638 ( -3.281 -9.269 -4.797) 10.940 9.105 ( -2.191 -2.434 2.762) 4.285 9.430 ( -1.236 -1.097 9.925) 10.062 9.624 ( 0.297 1.144 -6.809) 6.911 9.771 ( 9.490 3.355 5.572) 11.505 10.177 ( -0.993 0.108 -3.204) 3.356 10.416 ( -1.747 -11.363 2.707) 11.811 10.460 ( -2.643 -1.469 5.470) 6.250 10.559 ( -2.871 -7.004 0.191) 7.572 10.720 ( -2.391 -3.317 -4.883) 6.370 10.790 ( 4.473 -4.152 -2.503) 6.596 11.040 ( -3.832 -2.744 3.825) 6.070 11.119 ( 5.383 -3.512 0.696) 6.465 11.338 ( 1.531 5.841 0.612) 6.069 11.416 ( -3.144 3.676 -1.188) 4.981 11.736 ( -2.859 -1.097 0.213) 3.070 12.096 ( 1.557 9.119 -3.002) 9.726 12.117 ( 6.294 3.355 3.432) 7.915 12.357 ( -0.963 4.718 0.649) 4.859 12.604 ( -4.180 2.252 1.428) 4.958 12.784 ( -3.318 4.981 3.705) 7.039 12.964 ( 3.950 0.652 3.709) 5.457 13.106 ( 4.273 0.386 -2.566) 4.999 13.325 ( 2.045 4.793 -2.207) 5.660 13.616 ( -3.358 -2.533 0.310) 4.218 13.751 ( -4.680 -4.810 -5.074) 8.413 14.112 ( -5.525 -5.991 -0.132) 8.151 14.533 ( -9.317 -14.276 1.035) 17.078 16.399 ( 14.505 17.143 -1.018) 22.479 16.738 ( 6.728 5.089 -1.120) 8.510 16.977 ( -6.383 -0.004 -6.388) 9.031 17.395 ( 1.366 -1.393 0.269) 1.969 20.443 ( -0.851 2.851 2.351) 3.791 21.039 ( 3.533 1.912 -2.181) 4.571 21.091 ( -3.238 3.365 3.013) 5.557 21.292 ( 1.419 0.943 1.298) 2.142 21.420 ( -0.563 -2.961 4.245) 5.206 21.768 ( 6.536 4.262 10.140) 12.794 22.340 ( -4.651 -3.208 -6.560) 8.658 22.553 ( -7.735 -11.780 -9.285) 16.876 22.823 ( -2.777 -6.487 -0.642) 7.086 22.999 ( 1.809 -8.662 1.270) 8.939 23.385 ( -0.777 -0.140 1.652) 1.831 23.480 ( 0.544 -1.715 1.015) 2.066 23.522 ( -1.333 -0.709 -1.069) 1.850 23.612 ( -0.100 0.131 -0.072) 0.180 23.745 ( 2.549 0.541 -2.956) 3.941 24.534 ( 5.713 19.599 0.749) 20.429 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( -0.100 3.845 2.174) 4.418 1.835 ( 8.167 -5.064 2.849) 10.023 1.935 ( -1.540 -4.822 -3.778) 6.316 2.138 ( -1.759 -4.599 0.718) 4.976 2.391 ( -3.526 -7.339 -3.398) 8.823 2.532 ( 7.268 -5.313 15.818) 18.201 2.615 ( -1.847 -4.600 2.850) 5.718 2.675 ( 3.511 -8.336 5.282) 10.475 2.788 ( -3.776 -5.326 -12.711) 14.289 2.861 ( -3.915 1.986 -4.228) 6.095 2.883 ( -3.500 -5.323 -3.200) 7.129 2.978 ( -3.335 4.039 1.535) 5.458 3.032 ( -3.040 -7.244 -2.812) 8.344 3.195 ( 0.478 -0.792 4.519) 4.612 3.351 ( 3.461 -7.455 -3.357) 8.878 3.440 ( -3.202 1.398 -4.406) 5.623 3.670 ( 1.268 1.686 2.352) 3.160 3.830 ( 3.671 -4.623 4.222) 7.258 3.981 ( -3.422 -3.334 -6.984) 8.462 4.160 ( -0.244 1.866 4.377) 4.765 4.257 ( 2.361 4.025 6.070) 7.657 4.371 ( 6.563 -0.685 -4.034) 7.734 4.378 ( 5.111 -3.285 4.988) 7.861 4.712 ( -0.892 7.394 -0.632) 7.475 4.871 ( -4.041 2.940 -0.521) 5.025 4.977 ( -0.310 -2.816 -1.055) 3.023 5.029 ( -1.469 -2.251 -4.404) 5.159 5.105 ( 2.548 -0.005 4.679) 5.328 5.171 ( -0.220 -0.603 -1.577) 1.702 5.271 ( -7.626 -2.907 -0.563) 8.181 5.423 ( 1.692 -4.203 -2.351) 5.104 5.642 ( 0.966 6.345 -0.572) 6.443 5.743 ( 1.107 8.498 2.186) 8.844 5.830 ( 6.405 1.293 -2.324) 6.936 5.972 ( -3.277 -4.282 4.385) 6.950 6.022 ( 0.908 -2.971 -1.114) 3.300 6.114 ( -4.572 0.212 -6.578) 8.014 6.363 ( -0.161 -0.272 1.230) 1.271 6.622 ( -0.873 0.579 1.340) 1.701 6.968 ( 3.094 3.928 2.515) 5.597 7.375 ( -1.032 -0.761 -0.730) 1.476 7.659 ( 2.031 6.056 0.314) 6.395 7.685 ( -0.575 5.434 0.229) 5.469 7.729 ( 6.296 3.009 1.052) 7.057 7.887 ( -7.331 1.789 -3.591) 8.358 7.992 ( -0.225 -3.261 -1.044) 3.431 8.130 ( -0.700 -1.449 2.655) 3.105 8.152 ( -0.849 -1.113 -1.207) 1.848 8.751 ( -0.953 -5.983 -2.553) 6.574 9.112 ( -0.565 0.492 0.049) 0.751 9.463 ( 0.305 1.361 6.202) 6.357 9.567 ( -1.154 1.801 -4.538) 5.017 9.804 ( 6.712 3.867 4.246) 8.833 10.117 ( -4.085 1.323 -3.337) 5.438 10.499 ( 0.084 -1.118 4.401) 4.542 10.589 ( -0.158 -6.294 1.096) 6.390 10.647 ( -0.633 -1.392 4.693) 4.936 10.728 ( 0.394 -2.233 -10.334) 10.580 10.876 ( 4.446 -2.442 -1.207) 5.214 11.042 ( -5.907 1.631 2.809) 6.741 11.214 ( 2.602 0.744 1.067) 2.909 11.305 ( 4.224 -4.725 -4.256) 7.635 11.414 ( -6.386 -8.317 4.470) 11.399 11.749 ( -0.311 -1.197 1.911) 2.276 11.910 ( 0.314 8.835 -3.027) 9.345 12.146 ( 5.426 0.968 1.491) 5.710 12.264 ( -2.663 3.810 0.582) 4.685 12.440 ( -4.273 8.424 -0.748) 9.476 12.717 ( -1.859 1.475 0.871) 2.528 13.034 ( 3.097 -0.045 3.285) 4.515 13.180 ( 8.428 -0.664 0.518) 8.470 13.266 ( 1.791 0.284 -3.299) 3.765 13.645 ( -1.271 -2.496 1.690) 3.271 13.751 ( -8.207 -3.553 -3.607) 9.643 14.199 ( -0.937 -6.637 -0.470) 6.720 14.711 ( -5.133 -10.897 0.829) 12.074 16.169 ( 7.895 17.273 -0.187) 18.992 16.664 ( 2.252 6.207 -0.493) 6.621 16.944 ( -4.308 -3.930 -1.726) 6.081 17.423 ( 0.574 -0.566 0.141) 0.819 20.397 ( -0.174 2.542 0.860) 2.690 20.968 ( 0.469 4.819 0.235) 4.847 21.069 ( -1.067 -0.427 -0.946) 1.488 21.275 ( -0.266 0.209 -0.166) 0.377 21.550 ( 3.143 -5.895 3.931) 7.751 21.701 ( 1.734 9.226 3.342) 9.964 22.388 ( -1.155 -6.166 -2.166) 6.637 22.658 ( -4.452 -9.275 -5.419) 11.628 22.897 ( -1.861 -3.832 -0.558) 4.296 23.194 ( 1.539 -9.671 0.914) 9.835 23.373 ( -1.115 1.214 0.177) 1.658 23.498 ( 0.015 -0.313 -0.533) 0.618 23.530 ( -1.072 -1.393 -0.330) 1.788 23.619 ( 0.290 -0.373 1.064) 1.165 23.750 ( 1.109 -0.048 -0.405) 1.182 24.211 ( 3.087 19.446 0.963) 19.713 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.295 ( 0.000 12.846 0.000) 12.846 1.784 ( 0.000 12.052 0.000) 12.052 1.970 ( 0.000 2.428 0.000) 2.428 2.279 ( -0.000 -8.951 -0.000) 8.951 2.399 ( 0.000 4.052 0.000) 4.052 2.582 ( 0.000 7.183 0.000) 7.183 2.696 ( -0.000 -4.057 -0.000) 4.057 2.742 ( 0.000 5.477 0.000) 5.477 2.781 ( -0.000 -0.399 -0.000) 0.399 2.867 ( -0.000 -8.742 -0.000) 8.742 2.901 ( 0.000 0.870 0.000) 0.870 3.035 ( -0.000 -9.967 -0.000) 9.967 3.127 ( -0.000 -1.297 -0.000) 1.297 3.277 ( -0.000 -2.345 -0.000) 2.345 3.352 ( -0.000 -2.164 -0.000) 2.164 3.548 ( -0.000 -6.914 -0.000) 6.914 3.604 ( 0.000 2.800 0.000) 2.800 3.885 ( 0.000 0.775 0.000) 0.775 3.987 ( 0.000 5.275 0.000) 5.275 4.118 ( 0.000 8.034 0.000) 8.034 4.183 ( -0.000 -2.228 -0.000) 2.228 4.336 ( 0.000 4.291 0.000) 4.291 4.431 ( 0.000 3.004 0.000) 3.004 4.632 ( 0.000 0.399 0.000) 0.399 4.836 ( -0.000 -0.267 -0.000) 0.267 4.990 ( -0.000 -0.610 -0.000) 0.610 5.009 ( -0.000 -2.623 -0.000) 2.623 5.155 ( 0.000 1.116 0.000) 1.116 5.203 ( -0.000 -1.935 -0.000) 1.935 5.378 ( -0.000 -10.537 -0.000) 10.537 5.492 ( -0.000 -2.241 -0.000) 2.241 5.545 ( 0.000 11.819 0.000) 11.819 5.556 ( 0.000 2.923 0.000) 2.923 5.863 ( -0.000 -1.460 -0.000) 1.460 6.050 ( -0.000 -2.787 -0.000) 2.787 6.088 ( -0.000 -6.769 -0.000) 6.769 6.128 ( -0.000 -3.928 -0.000) 3.928 6.323 ( 0.000 4.931 0.000) 4.931 6.632 ( -0.000 -2.250 -0.000) 2.250 6.939 ( 0.000 2.058 0.000) 2.058 7.396 ( -0.000 -2.205 -0.000) 2.205 7.579 ( 0.000 4.758 0.000) 4.758 7.601 ( 0.000 0.841 0.000) 0.841 7.719 ( 0.000 1.251 0.000) 1.251 7.884 ( -0.000 -5.837 -0.000) 5.837 8.065 ( -0.000 -3.865 -0.000) 3.865 8.072 ( 0.000 2.360 0.000) 2.360 8.245 ( -0.000 -4.135 -0.000) 4.135 8.791 ( 0.000 0.405 0.000) 0.405 9.120 ( -0.000 -2.523 -0.000) 2.523 9.455 ( 0.000 2.594 0.000) 2.594 9.486 ( 0.000 3.903 0.000) 3.903 9.770 ( 0.000 4.087 0.000) 4.087 10.062 ( 0.000 0.694 0.000) 0.694 10.462 ( 0.000 6.757 0.000) 6.757 10.674 ( -0.000 -3.647 -0.000) 3.647 10.681 ( 0.000 0.712 0.000) 0.712 10.698 ( 0.000 1.176 0.000) 1.176 10.933 ( -0.000 -1.473 -0.000) 1.473 10.953 ( 0.000 3.859 0.000) 3.859 11.255 ( -0.000 -5.309 -0.000) 5.309 11.400 ( -0.000 -2.434 -0.000) 2.434 11.625 ( -0.000 -13.368 -0.000) 13.368 11.761 ( 0.000 6.153 0.000) 6.153 11.782 ( -0.000 -1.303 -0.000) 1.303 12.174 ( 0.000 3.399 0.000) 3.399 12.193 ( -0.000 -0.608 -0.000) 0.608 12.289 ( 0.000 3.674 0.000) 3.674 12.710 ( -0.000 -1.388 -0.000) 1.388 12.997 ( 0.000 3.983 0.000) 3.983 13.263 ( -0.000 -0.770 -0.000) 0.770 13.280 ( -0.000 -1.809 -0.000) 1.809 13.715 ( -0.000 -3.422 -0.000) 3.422 13.732 ( -0.000 -1.724 -0.000) 1.724 14.317 ( -0.000 -5.792 -0.000) 5.792 14.861 ( -0.000 -7.680 -0.000) 7.680 15.911 ( 0.000 13.649 0.000) 13.649 16.558 ( 0.000 5.554 0.000) 5.554 17.021 ( -0.000 -6.219 -0.000) 6.219 17.425 ( 0.000 0.638 0.000) 0.638 20.360 ( 0.000 1.374 0.000) 1.374 20.903 ( 0.000 2.253 0.000) 2.253 21.060 ( 0.000 0.621 0.000) 0.621 21.280 ( -0.000 -0.404 -0.000) 0.404 21.547 ( 0.000 8.287 0.000) 8.287 21.710 ( -0.000 -8.623 -0.000) 8.623 22.476 ( -0.000 -3.653 -0.000) 3.653 22.768 ( -0.000 -6.173 -0.000) 6.173 22.931 ( -0.000 -1.153 -0.000) 1.153 23.314 ( 0.000 4.495 0.000) 4.495 23.370 ( -0.000 -7.167 -0.000) 7.167 23.506 ( -0.000 -1.063 -0.000) 1.063 23.546 ( -0.000 -0.955 -0.000) 0.955 23.639 ( -0.000 -1.434 -0.000) 1.434 23.747 ( 0.000 0.968 0.000) 0.968 23.897 ( 0.000 15.494 0.000) 15.494 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 1.160 0.000 0.248) 1.186 1.298 ( 2.099 0.000 6.027) 6.382 1.310 ( -10.315 -0.000 0.922) 10.356 1.627 ( 2.534 0.000 2.513) 3.568 1.740 ( 25.176 0.000 5.927) 25.864 2.197 ( -2.800 -0.000 4.853) 5.603 2.350 ( -2.147 -0.000 6.461) 6.808 2.441 ( 6.300 0.000 3.309) 7.117 2.627 ( -8.772 -0.000 -0.605) 8.793 2.664 ( -4.769 -0.000 -18.211) 18.825 2.869 ( -0.809 -0.000 -2.731) 2.849 2.973 ( 8.477 0.000 18.698) 20.530 3.048 ( -0.165 -0.000 -1.471) 1.480 3.223 ( -1.013 -0.000 -2.222) 2.442 3.395 ( -8.009 -0.000 -1.478) 8.144 3.457 ( 0.238 0.000 -10.753) 10.756 3.661 ( -2.490 -0.000 6.862) 7.300 3.676 ( 1.884 0.000 0.118) 1.888 3.819 ( 12.022 0.000 2.428) 12.264 4.023 ( -0.362 -0.000 3.784) 3.801 4.237 ( -7.895 -0.000 -6.620) 10.303 4.243 ( -1.788 -0.000 3.566) 3.989 4.358 ( 4.422 0.000 -4.229) 6.119 4.524 ( -0.141 -0.000 6.427) 6.429 5.001 ( 1.983 0.000 2.937) 3.544 5.062 ( -3.773 -0.000 1.965) 4.254 5.185 ( -2.793 -0.000 2.617) 3.827 5.192 ( 4.611 0.000 -0.812) 4.682 5.247 ( -4.628 -0.000 -3.721) 5.938 5.271 ( 2.105 0.000 -10.677) 10.882 5.459 ( -0.173 -0.000 -7.256) 7.259 5.716 ( 1.603 0.000 0.613) 1.716 5.742 ( -2.308 -0.000 1.470) 2.736 5.957 ( -7.581 -0.000 -1.954) 7.829 6.053 ( 5.038 0.000 0.361) 5.051 6.088 ( -2.541 -0.000 -2.453) 3.532 6.252 ( 7.691 0.000 1.929) 7.929 6.303 ( -1.987 -0.000 -0.029) 1.988 6.570 ( -0.996 -0.000 0.761) 1.254 7.281 ( -0.825 -0.000 2.904) 3.019 7.497 ( 2.996 0.000 -2.209) 3.722 7.654 ( 1.657 0.000 -1.126) 2.004 7.756 ( -1.018 -0.000 -3.036) 3.202 7.854 ( 4.406 0.000 2.928) 5.290 7.911 ( -3.673 -0.000 1.076) 3.827 8.059 ( 2.484 0.000 -1.365) 2.834 8.152 ( -4.572 -0.000 -2.839) 5.382 8.303 ( 0.872 0.000 1.320) 1.582 8.444 ( -9.920 -0.000 -1.291) 10.003 8.940 ( -4.147 -0.000 3.911) 5.700 9.389 ( -1.544 -0.000 12.046) 12.145 9.678 ( 1.788 0.000 -7.946) 8.144 9.820 ( 7.227 0.000 7.590) 10.480 9.958 ( -0.109 -0.000 1.523) 1.527 10.235 ( 0.516 0.000 0.073) 0.521 10.325 ( -6.740 -0.000 1.622) 6.932 10.538 ( -3.988 -0.000 4.528) 6.034 10.639 ( 5.706 0.000 -3.352) 6.618 10.699 ( -2.143 -0.000 0.293) 2.163 11.022 ( 2.947 0.000 -5.531) 6.267 11.052 ( 2.245 0.000 8.087) 8.393 11.508 ( 2.459 0.000 -1.306) 2.784 11.555 ( 0.890 0.000 -1.545) 1.783 11.683 ( -4.558 -0.000 -3.326) 5.643 12.180 ( 5.765 0.000 4.129) 7.091 12.441 ( -3.236 -0.000 -1.168) 3.440 12.467 ( 2.353 0.000 -1.927) 3.042 12.478 ( 5.154 0.000 4.066) 6.565 12.817 ( -2.583 -0.000 -0.150) 2.588 12.986 ( -4.474 -0.000 1.904) 4.862 13.393 ( -1.090 -0.000 0.719) 1.306 13.460 ( 1.006 0.000 2.592) 2.780 13.547 ( -1.982 -0.000 -6.161) 6.472 13.634 ( -2.831 -0.000 -3.677) 4.641 13.993 ( -1.760 -0.000 4.596) 4.921 14.038 ( -14.143 -0.000 -1.470) 14.219 16.743 ( 6.614 0.000 1.697) 6.828 16.845 ( 4.044 0.000 -0.555) 4.082 17.060 ( 6.290 0.000 -15.003) 16.268 17.360 ( 1.862 0.000 -0.212) 1.874 20.509 ( -2.183 -0.000 1.968) 2.939 21.045 ( 3.879 0.000 -0.416) 3.901 21.240 ( -2.167 -0.000 5.453) 5.868 21.312 ( -2.203 -0.000 4.840) 5.317 21.404 ( 1.283 0.000 5.593) 5.738 21.769 ( 5.976 0.000 10.344) 11.946 22.135 ( -1.702 -0.000 -10.571) 10.707 22.493 ( -9.012 -0.000 -8.502) 12.390 22.560 ( -0.920 -0.000 -0.385) 0.997 22.835 ( 1.831 0.000 0.876) 2.030 23.391 ( 1.861 0.000 3.544) 4.003 23.411 ( -2.029 -0.000 2.723) 3.396 23.523 ( -0.028 -0.000 -2.850) 2.850 23.609 ( -0.630 -0.000 -1.015) 1.195 23.764 ( 2.646 0.000 -5.217) 5.850 24.976 ( 2.100 0.000 -2.538) 3.294 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -2.723 -5.335 3.069) 6.730 1.406 ( 3.090 -12.430 -1.560) 12.903 1.651 ( -2.665 -21.257 -0.114) 21.424 1.865 ( 0.609 -19.272 6.844) 20.461 1.957 ( 18.507 0.946 4.426) 19.052 2.207 ( -2.554 -0.795 1.509) 3.071 2.443 ( -0.377 -6.604 2.735) 7.158 2.474 ( 1.526 -1.496 0.009) 2.137 2.514 ( -9.028 -0.174 1.644) 9.178 2.624 ( -2.493 -6.849 -11.411) 13.540 2.852 ( -4.312 -2.150 -1.043) 4.930 2.995 ( 2.092 4.884 1.103) 5.427 3.173 ( -0.823 0.985 12.227) 12.294 3.208 ( -2.862 2.621 -1.800) 4.278 3.288 ( 4.783 -2.220 -10.915) 12.122 3.467 ( -0.984 -4.940 -0.448) 5.057 3.595 ( -0.907 6.835 -1.000) 6.967 3.701 ( -0.044 -3.027 3.504) 4.631 3.880 ( 1.415 1.054 -2.222) 2.837 4.152 ( 6.622 -7.595 4.577) 11.067 4.209 ( 0.796 -2.661 3.119) 4.176 4.264 ( -0.264 -1.733 1.653) 2.410 4.347 ( 2.658 2.647 -4.378) 5.765 4.618 ( -2.854 -7.071 3.545) 8.409 5.011 ( -3.044 1.637 -0.578) 3.505 5.024 ( 0.256 0.778 1.669) 1.859 5.101 ( -5.885 3.820 -1.080) 7.099 5.130 ( 0.358 4.182 -1.534) 4.469 5.213 ( 4.294 1.088 -1.206) 4.591 5.302 ( -1.797 -0.662 -2.202) 2.919 5.391 ( -0.590 3.554 -5.743) 6.779 5.718 ( 4.386 -0.528 0.007) 4.417 5.771 ( -0.744 -2.913 1.695) 3.451 5.891 ( -6.924 1.087 -3.317) 7.754 6.034 ( 0.605 2.635 -0.047) 2.704 6.056 ( 2.690 3.791 0.044) 4.648 6.242 ( -2.024 4.345 0.400) 4.810 6.298 ( 2.862 -0.265 0.046) 2.875 6.592 ( -0.520 -1.868 0.848) 2.116 7.212 ( 0.959 7.188 2.166) 7.568 7.467 ( 1.848 3.975 -0.449) 4.406 7.693 ( -0.220 -3.053 -1.474) 3.398 7.792 ( -0.730 -4.602 -0.167) 4.662 7.864 ( 2.384 2.582 -0.131) 3.516 7.919 ( 1.796 -0.409 0.733) 1.982 8.041 ( 1.547 3.556 -0.614) 3.926 8.054 ( -5.242 4.035 -0.797) 6.663 8.301 ( -1.198 2.706 0.966) 3.113 8.410 ( -4.426 -6.887 -2.872) 8.675 9.013 ( -1.373 -6.500 2.584) 7.128 9.457 ( -0.386 -1.890 9.994) 10.179 9.613 ( 0.146 2.853 -8.105) 8.593 9.918 ( 7.583 1.115 4.026) 8.658 10.094 ( -0.450 -12.957 1.870) 13.099 10.206 ( -3.692 0.695 -1.535) 4.059 10.350 ( -3.495 -6.162 0.997) 7.154 10.512 ( -0.794 1.034 1.440) 1.942 10.666 ( -1.636 -0.634 -1.440) 2.270 10.728 ( 2.552 -4.137 -1.117) 4.988 11.017 ( 0.686 -0.137 -1.340) 1.512 11.139 ( 5.111 -1.105 6.360) 8.234 11.452 ( -4.447 3.566 -3.373) 6.624 11.476 ( 0.955 6.656 -0.435) 6.738 11.682 ( -0.772 -2.247 -0.677) 2.470 12.216 ( 4.427 2.643 1.765) 5.450 12.286 ( -1.938 8.581 -1.209) 8.879 12.438 ( 2.566 4.630 -1.248) 5.438 12.587 ( -0.572 -3.310 3.329) 4.729 12.873 ( -1.853 2.136 1.132) 3.046 12.931 ( 1.621 -4.365 0.704) 4.710 13.206 ( -4.238 10.848 -1.035) 11.693 13.434 ( 2.635 4.553 -0.586) 5.293 13.567 ( 0.606 -1.486 0.755) 1.774 13.623 ( -2.448 -2.517 -3.760) 5.145 13.960 ( -4.893 -4.969 -0.196) 6.977 14.198 ( -4.302 -15.285 1.110) 15.918 16.744 ( 8.357 7.364 1.495) 11.238 16.846 ( 0.974 1.629 -1.063) 2.175 16.954 ( -1.008 6.996 -6.369) 9.514 17.382 ( 0.877 -1.039 0.060) 1.361 20.488 ( -0.853 1.637 1.046) 2.122 21.059 ( 2.032 0.759 -0.579) 2.246 21.194 ( -1.740 5.214 2.159) 5.905 21.320 ( -0.139 0.383 0.779) 0.879 21.414 ( 0.712 0.313 3.974) 4.049 21.928 ( 8.458 -2.518 13.374) 16.024 22.177 ( -3.903 -6.854 -8.164) 11.351 22.294 ( -7.405 0.612 -8.896) 11.591 22.663 ( -1.380 -8.052 -0.781) 8.207 22.895 ( 1.289 -4.494 0.853) 4.752 23.394 ( -0.413 0.592 1.525) 1.687 23.450 ( 0.194 -2.227 1.312) 2.592 23.507 ( -0.231 0.333 -1.463) 1.518 23.606 ( -0.228 -0.482 -0.324) 0.624 23.757 ( 1.590 0.424 -2.427) 2.932 24.865 ( 1.635 11.900 -0.585) 12.026 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( -0.000 -11.720 -0.000) 11.720 1.675 ( -0.000 -14.107 -0.000) 14.107 1.905 ( -0.000 -1.293 -0.000) 1.293 2.080 ( -0.000 -1.475 -0.000) 1.475 2.133 ( -0.000 -13.047 -0.000) 13.047 2.374 ( -0.000 -20.736 -0.000) 20.736 2.522 ( -0.000 -5.056 -0.000) 5.056 2.570 ( -0.000 -8.465 -0.000) 8.465 2.607 ( -0.000 -4.670 -0.000) 4.670 2.733 ( -0.000 -8.617 -0.000) 8.617 2.841 ( 0.000 1.250 0.000) 1.250 2.919 ( 0.000 0.466 0.000) 0.466 3.164 ( 0.000 10.423 0.000) 10.423 3.193 ( -0.000 -1.224 -0.000) 1.224 3.212 ( -0.000 -3.712 -0.000) 3.712 3.483 ( 0.000 4.006 0.000) 4.006 3.638 ( -0.000 -8.199 -0.000) 8.199 3.762 ( -0.000 -3.665 -0.000) 3.665 3.868 ( -0.000 -1.351 -0.000) 1.351 4.260 ( 0.000 5.024 0.000) 5.024 4.304 ( -0.000 -5.353 -0.000) 5.353 4.305 ( -0.000 -1.630 -0.000) 1.630 4.358 ( -0.000 -4.967 -0.000) 4.967 4.783 ( -0.000 -12.078 -0.000) 12.078 4.904 ( 0.000 10.698 0.000) 10.698 4.954 ( 0.000 6.436 0.000) 6.436 4.990 ( 0.000 1.284 0.000) 1.284 5.132 ( -0.000 -2.858 -0.000) 2.858 5.197 ( 0.000 3.300 0.000) 3.300 5.270 ( 0.000 5.283 0.000) 5.283 5.322 ( -0.000 -4.311 -0.000) 4.311 5.757 ( 0.000 5.313 0.000) 5.313 5.792 ( -0.000 -2.134 -0.000) 2.134 5.864 ( -0.000 -4.774 -0.000) 4.774 5.952 ( 0.000 6.882 0.000) 6.882 6.021 ( 0.000 0.600 0.000) 0.600 6.132 ( 0.000 5.387 0.000) 5.387 6.335 ( -0.000 -2.314 -0.000) 2.314 6.622 ( -0.000 -0.960 -0.000) 0.960 7.087 ( 0.000 6.855 0.000) 6.855 7.393 ( 0.000 3.534 0.000) 3.534 7.748 ( -0.000 -1.234 -0.000) 1.234 7.787 ( 0.000 5.651 0.000) 5.651 7.818 ( 0.000 2.272 0.000) 2.272 7.907 ( 0.000 6.049 0.000) 6.049 7.977 ( 0.000 3.126 0.000) 3.126 8.007 ( -0.000 -6.957 -0.000) 6.957 8.226 ( 0.000 4.671 0.000) 4.671 8.569 ( -0.000 -11.115 -0.000) 11.115 9.109 ( -0.000 -2.362 -0.000) 2.362 9.518 ( 0.000 2.572 0.000) 2.572 9.539 ( -0.000 -1.841 -0.000) 1.841 9.927 ( 0.000 3.289 0.000) 3.289 10.125 ( 0.000 2.559 0.000) 2.559 10.396 ( -0.000 -12.761 -0.000) 12.761 10.467 ( -0.000 -7.133 -0.000) 7.133 10.537 ( -0.000 -5.711 -0.000) 5.711 10.672 ( -0.000 -1.145 -0.000) 1.145 10.822 ( -0.000 -4.686 -0.000) 4.686 11.029 ( -0.000 -0.997 -0.000) 0.997 11.224 ( -0.000 -3.463 -0.000) 3.463 11.313 ( 0.000 6.014 0.000) 6.014 11.372 ( 0.000 4.415 0.000) 4.415 11.718 ( -0.000 -2.118 -0.000) 2.118 12.085 ( 0.000 10.394 0.000) 10.394 12.200 ( 0.000 2.258 0.000) 2.258 12.348 ( 0.000 5.474 0.000) 5.474 12.573 ( 0.000 5.978 0.000) 5.978 12.768 ( 0.000 4.783 0.000) 4.783 13.058 ( 0.000 1.645 0.000) 1.645 13.103 ( -0.000 -7.995 -0.000) 7.995 13.346 ( 0.000 5.540 0.000) 5.540 13.621 ( -0.000 -1.874 -0.000) 1.874 13.626 ( -0.000 -2.998 -0.000) 2.998 14.061 ( -0.000 -7.218 -0.000) 7.218 14.460 ( -0.000 -14.076 -0.000) 14.076 16.543 ( 0.000 18.068 0.000) 18.068 16.797 ( 0.000 6.774 0.000) 6.774 16.854 ( -0.000 -2.522 -0.000) 2.522 17.408 ( -0.000 -1.265 -0.000) 1.265 20.448 ( 0.000 2.572 0.000) 2.572 21.057 ( -0.000 -0.045 -0.000) 0.045 21.080 ( 0.000 6.525 0.000) 6.525 21.285 ( 0.000 1.517 0.000) 1.517 21.480 ( -0.000 -4.227 -0.000) 4.227 21.922 ( 0.000 11.548 0.000) 11.548 22.220 ( -0.000 -9.633 -0.000) 9.633 22.423 ( -0.000 -12.063 -0.000) 12.063 22.793 ( -0.000 -6.464 -0.000) 6.464 23.025 ( -0.000 -8.559 -0.000) 8.559 23.386 ( 0.000 0.552 0.000) 0.552 23.494 ( -0.000 -1.983 -0.000) 1.983 23.496 ( 0.000 0.140 0.000) 0.140 23.615 ( -0.000 -0.501 -0.000) 0.501 23.753 ( 0.000 0.081 0.000) 0.081 24.584 ( 0.000 18.398 0.000) 18.398 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.221 ( -0.000 -0.000 0.000) 0.000 1.280 ( 0.000 0.000 -0.000) 0.000 1.332 ( 0.000 0.000 0.000) 0.000 1.685 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.204 ( 0.000 0.000 0.000) 0.000 2.411 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.472 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.797 ( 0.000 0.000 0.000) 0.000 3.130 ( 0.000 0.000 0.000) 0.000 3.206 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.323 ( 0.000 0.000 -0.000) 0.000 3.650 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.960 ( -0.000 -0.000 -0.000) 0.000 4.062 ( 0.000 0.000 0.000) 0.000 4.182 ( 0.000 0.000 0.000) 0.000 4.237 ( 0.000 0.000 0.000) 0.000 4.399 ( 0.000 0.000 0.000) 0.000 4.542 ( 0.000 0.000 0.000) 0.000 5.006 ( 0.000 0.000 0.000) 0.000 5.023 ( 0.000 0.000 0.000) 0.000 5.109 ( 0.000 0.000 0.000) 0.000 5.172 ( 0.000 0.000 0.000) 0.000 5.236 ( 0.000 0.000 0.000) 0.000 5.292 ( 0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 0.000) 0.000 5.729 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.863 ( 0.000 0.000 0.000) 0.000 6.059 ( 0.000 0.000 0.000) 0.000 6.108 ( 0.000 0.000 0.000) 0.000 6.277 ( 0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 6.574 ( 0.000 0.000 0.000) 0.000 7.291 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.671 ( 0.000 0.000 0.000) 0.000 7.708 ( 0.000 0.000 0.000) 0.000 7.875 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 8.068 ( 0.000 0.000 0.000) 0.000 8.075 ( 0.000 0.000 0.000) 0.000 8.306 ( 0.000 0.000 0.000) 0.000 8.342 ( 0.000 0.000 0.000) 0.000 8.938 ( 0.000 0.000 0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.629 ( 0.000 0.000 -0.000) 0.000 9.936 ( 0.000 0.000 0.000) 0.000 9.987 ( 0.000 0.000 0.000) 0.000 10.239 ( 0.000 0.000 0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 10.525 ( 0.000 0.000 0.000) 0.000 10.659 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 11.016 ( 0.000 0.000 -0.000) 0.000 11.182 ( 0.000 0.000 0.000) 0.000 11.445 ( 0.000 0.000 0.000) 0.000 11.555 ( 0.000 0.000 0.000) 0.000 11.651 ( 0.000 0.000 0.000) 0.000 12.271 ( 0.000 0.000 0.000) 0.000 12.338 ( -0.000 -0.000 0.000) 0.000 12.540 ( 0.000 0.000 0.000) 0.000 12.552 ( 0.000 0.000 0.000) 0.000 12.789 ( 0.000 0.000 0.000) 0.000 12.960 ( 0.000 0.000 0.000) 0.000 13.310 ( 0.000 0.000 0.000) 0.000 13.483 ( 0.000 0.000 -0.000) 0.000 13.583 ( 0.000 0.000 0.000) 0.000 13.589 ( 0.000 0.000 0.000) 0.000 13.875 ( 0.000 0.000 0.000) 0.000 14.005 ( 0.000 0.000 0.000) 0.000 16.817 ( 0.000 0.000 0.000) 0.000 16.871 ( -0.000 -0.000 0.000) 0.000 17.033 ( 0.000 0.000 0.000) 0.000 17.375 ( 0.000 0.000 0.000) 0.000 20.501 ( 0.000 0.000 0.000) 0.000 21.081 ( 0.000 0.000 0.000) 0.000 21.251 ( 0.000 0.000 0.000) 0.000 21.307 ( 0.000 0.000 0.000) 0.000 21.451 ( 0.000 0.000 0.000) 0.000 21.946 ( 0.000 0.000 0.000) 0.000 22.057 ( 0.000 0.000 0.000) 0.000 22.300 ( 0.000 0.000 0.000) 0.000 22.551 ( 0.000 0.000 0.000) 0.000 22.862 ( 0.000 0.000 0.000) 0.000 23.408 ( 0.000 0.000 -0.000) 0.000 23.427 ( 0.000 0.000 0.000) 0.000 23.507 ( 0.000 0.000 0.000) 0.000 23.597 ( 0.000 0.000 0.000) 0.000 23.762 ( 0.000 0.000 0.000) 0.000 24.981 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 10.780 0.000 22.064) 24.556 0.546 ( -19.503 -0.000 28.487) 34.524 0.876 ( 17.829 0.000 44.399) 47.845 1.301 ( -0.953 -0.000 3.240) 3.378 1.860 ( -2.603 -0.000 -0.248) 2.615 2.212 ( -12.794 -0.000 4.067) 13.425 2.222 ( 6.650 0.000 -4.573) 8.071 2.354 ( 12.011 0.000 -10.865) 16.196 2.496 ( -6.632 -0.000 0.915) 6.695 2.559 ( -0.932 -0.000 4.477) 4.573 2.864 ( -0.044 -0.000 5.169) 5.169 3.190 ( 4.622 0.000 3.963) 6.089 3.191 ( -5.741 -0.000 -10.879) 12.301 3.376 ( 0.923 0.000 -2.993) 3.132 3.416 ( 0.556 0.000 -4.414) 4.449 3.586 ( 7.796 0.000 -0.177) 7.798 3.731 ( -1.139 -0.000 3.175) 3.373 3.866 ( -5.719 -0.000 -1.373) 5.881 3.895 ( -9.072 -0.000 -4.621) 10.181 3.980 ( 2.623 0.000 -4.978) 5.627 4.058 ( 5.343 0.000 2.470) 5.887 4.243 ( -10.176 -0.000 -0.932) 10.218 4.316 ( 4.108 0.000 3.434) 5.354 4.767 ( 0.972 0.000 2.039) 2.259 4.891 ( -0.761 -0.000 0.175) 0.781 4.908 ( -2.300 -0.000 4.696) 5.229 5.136 ( -2.205 -0.000 -5.298) 5.738 5.258 ( -3.518 -0.000 -1.286) 3.745 5.392 ( 1.411 0.000 -2.024) 2.467 5.449 ( 2.266 0.000 -0.619) 2.349 5.536 ( -0.118 -0.000 2.809) 2.812 5.625 ( -3.560 -0.000 -2.157) 4.162 5.706 ( 2.394 0.000 -2.663) 3.581 5.814 ( -1.325 -0.000 0.009) 1.325 5.880 ( 1.775 0.000 -1.048) 2.061 6.164 ( -10.356 -0.000 5.004) 11.501 6.259 ( 1.057 0.000 7.091) 7.170 6.472 ( 19.220 0.000 -5.743) 20.060 6.749 ( 21.307 0.000 -3.742) 21.633 6.816 ( 5.788 0.000 -3.991) 7.030 7.570 ( 0.107 0.000 -4.102) 4.103 7.635 ( 0.875 0.000 -0.607) 1.065 7.676 ( -4.157 -0.000 -2.433) 4.817 7.905 ( -1.133 -0.000 5.269) 5.389 7.915 ( 3.057 0.000 -4.939) 5.808 7.959 ( 1.413 0.000 -0.939) 1.696 8.142 ( 0.013 0.000 4.059) 4.059 8.348 ( -2.325 -0.000 -3.903) 4.543 9.116 ( 2.685 0.000 11.592) 11.899 9.289 ( -1.361 -0.000 1.713) 2.188 9.445 ( 1.724 0.000 2.903) 3.376 9.476 ( -0.411 -0.000 2.041) 2.082 9.701 ( -19.082 -0.000 -2.309) 19.221 10.004 ( 12.176 0.000 -2.001) 12.339 10.143 ( -4.851 -0.000 1.754) 5.159 10.292 ( 1.274 0.000 -0.109) 1.279 10.462 ( 4.286 0.000 -2.330) 4.879 10.728 ( 9.012 0.000 -7.975) 12.034 10.972 ( -7.009 -0.000 1.840) 7.246 10.976 ( 0.703 0.000 -1.763) 1.898 11.449 ( -7.785 -0.000 7.212) 10.612 11.485 ( -40.428 -0.000 1.175) 40.445 11.607 ( -2.815 -0.000 1.916) 3.405 11.785 ( 2.422 0.000 -1.037) 2.635 11.868 ( 3.511 0.000 2.354) 4.227 12.197 ( 2.680 0.000 1.609) 3.126 12.295 ( -2.616 -0.000 0.698) 2.708 12.894 ( 0.745 0.000 -11.334) 11.359 12.953 ( -2.949 -0.000 1.212) 3.188 13.076 ( -0.094 -0.000 0.919) 0.924 13.190 ( 10.144 0.000 -2.121) 10.363 13.321 ( 1.241 0.000 -3.249) 3.478 13.654 ( 37.261 0.000 6.194) 37.772 14.167 ( -0.525 -0.000 -3.751) 3.788 14.465 ( 58.487 0.000 3.201) 58.575 14.639 ( -3.534 -0.000 -0.072) 3.535 15.854 ( -83.841 -0.000 1.890) 83.862 16.264 ( 8.919 0.000 -6.626) 11.110 16.666 ( -7.177 -0.000 7.277) 10.221 17.219 ( 3.129 0.000 -3.773) 4.902 20.775 ( -4.703 -0.000 -1.185) 4.850 20.834 ( 3.776 0.000 -4.874) 6.166 21.177 ( 1.496 0.000 10.859) 10.962 21.250 ( 0.648 0.000 3.136) 3.202 21.651 ( 1.003 0.000 -3.224) 3.376 22.230 ( -32.310 -0.000 -11.001) 34.131 22.520 ( -42.486 -0.000 4.661) 42.741 22.590 ( 1.083 0.000 -1.428) 1.792 22.752 ( -5.022 -0.000 -5.321) 7.317 22.847 ( 2.338 0.000 -0.589) 2.411 23.182 ( 3.304 0.000 8.373) 9.001 23.474 ( 1.183 0.000 0.527) 1.295 23.595 ( -1.846 -0.000 -0.466) 1.903 23.637 ( 14.049 0.000 -1.622) 14.142 23.735 ( 64.860 0.000 3.323) 64.945 23.881 ( -7.594 -0.000 0.090) 7.595 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -1.541 -11.227 19.815) 22.826 0.964 ( 8.659 -21.961 15.666) 28.332 1.362 ( 15.384 -11.973 27.474) 33.687 1.536 ( 3.129 -16.955 10.693) 20.288 1.934 ( -7.250 -8.755 -3.799) 11.985 2.162 ( -3.401 -9.234 -3.513) 10.448 2.343 ( 2.153 -6.072 4.805) 8.036 2.482 ( 9.882 -9.748 -8.848) 16.461 2.556 ( -3.502 -9.488 2.586) 10.439 2.626 ( -2.771 -6.656 3.049) 7.828 2.921 ( 2.116 -1.384 4.815) 5.438 3.069 ( -5.243 1.516 -12.603) 13.734 3.207 ( 5.033 4.551 2.352) 7.181 3.314 ( 0.363 2.019 2.278) 3.065 3.390 ( -2.307 0.611 -4.371) 4.980 3.622 ( -8.959 2.290 -5.445) 10.731 3.667 ( -2.987 3.666 -0.607) 4.767 3.762 ( 5.721 1.163 -3.361) 6.736 3.873 ( -4.310 -2.753 -1.138) 5.239 3.965 ( -6.965 2.475 2.351) 7.756 4.132 ( 5.826 -0.558 1.474) 6.036 4.171 ( 0.018 -2.086 -6.126) 6.472 4.406 ( 5.184 -2.421 6.997) 9.039 4.791 ( 0.945 2.982 1.779) 3.599 4.869 ( -3.446 -1.019 -1.500) 3.894 4.946 ( -1.098 -5.451 2.309) 6.021 5.081 ( -1.769 0.873 -8.767) 8.986 5.230 ( -1.770 1.383 1.668) 2.797 5.379 ( 0.100 3.707 2.481) 4.462 5.441 ( -0.667 2.947 -0.760) 3.115 5.539 ( 1.118 0.003 -0.143) 1.127 5.624 ( 2.983 4.461 -2.812) 6.058 5.714 ( 3.609 -5.121 -3.301) 7.081 5.738 ( 1.950 3.606 -0.484) 4.128 5.910 ( 0.008 0.258 0.854) 0.892 6.068 ( -4.646 4.634 2.351) 6.971 6.236 ( 1.157 2.825 0.699) 3.131 6.567 ( -2.303 -5.865 -8.544) 10.616 6.749 ( -2.321 1.942 -1.711) 3.477 6.887 ( 14.074 6.083 -1.249) 15.383 7.487 ( -0.289 2.579 -1.855) 3.190 7.600 ( -3.286 0.018 -2.431) 4.087 7.783 ( 1.130 -4.122 -2.079) 4.753 7.852 ( 1.761 1.311 -2.031) 2.991 7.926 ( 1.494 1.744 1.608) 2.803 7.995 ( 0.706 -0.853 0.759) 1.343 8.188 ( 1.611 -1.788 3.332) 4.110 8.297 ( -3.593 0.418 -3.187) 4.821 9.033 ( -9.756 6.470 11.793) 16.616 9.310 ( -6.326 -0.059 2.373) 6.757 9.394 ( -3.506 4.781 4.573) 7.488 9.476 ( 1.886 1.185 3.689) 4.309 9.565 ( 2.911 -1.003 2.478) 3.952 10.154 ( 6.911 -0.133 1.736) 7.127 10.188 ( -2.239 -7.040 -5.646) 9.298 10.318 ( 2.748 -2.840 1.184) 4.126 10.537 ( 3.933 -4.456 -1.050) 6.035 10.748 ( 7.398 0.236 -11.334) 13.537 10.889 ( -9.337 2.282 2.559) 9.946 10.970 ( 2.066 0.912 -1.791) 2.882 11.211 ( -16.541 -2.163 2.532) 16.873 11.482 ( -12.117 -5.243 6.405) 14.674 11.579 ( -3.225 1.912 1.306) 3.970 11.817 ( 1.228 -1.459 -1.253) 2.282 11.940 ( 0.146 -2.293 5.294) 5.772 12.207 ( 3.511 4.826 3.260) 6.800 12.212 ( 0.184 3.865 1.191) 4.048 12.831 ( -4.502 1.988 -6.371) 8.051 12.916 ( -1.428 0.782 -1.463) 2.189 13.088 ( 0.828 0.617 1.691) 1.982 13.147 ( -2.284 10.294 4.182) 11.343 13.329 ( 3.751 -1.257 -3.814) 5.495 13.727 ( 10.339 3.502 4.473) 11.797 13.928 ( -10.430 11.384 -1.478) 15.511 14.390 ( -4.524 -1.305 8.201) 9.456 14.906 ( -11.781 -7.878 -5.692) 15.273 15.707 ( 21.160 4.142 -1.369) 21.605 16.377 ( 8.644 -2.274 -2.744) 9.350 16.884 ( 1.269 -15.171 -12.192) 19.504 17.251 ( 3.649 -2.262 -3.539) 5.564 20.646 ( -5.699 7.066 5.476) 10.602 20.856 ( 4.975 -0.544 -2.960) 5.814 21.182 ( -0.925 2.400 4.302) 5.012 21.315 ( -3.922 10.388 7.340) 13.311 21.365 ( 5.019 -0.601 12.032) 13.051 21.952 ( -20.623 1.609 -8.720) 22.449 22.492 ( -4.521 -2.280 -0.243) 5.070 22.755 ( -3.123 -8.148 0.748) 8.758 22.799 ( -12.524 -17.872 -9.054) 23.627 22.882 ( -1.292 -4.620 -0.702) 4.848 23.252 ( 3.470 -1.295 8.321) 9.108 23.497 ( 0.148 -1.370 1.405) 1.968 23.564 ( -2.387 0.814 -1.745) 3.067 23.648 ( -0.027 -0.492 -1.398) 1.482 23.780 ( -4.499 3.434 -3.027) 6.418 24.068 ( 44.399 15.636 -3.845) 47.228 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 7.933 -13.992 12.550) 20.402 1.466 ( 3.026 -16.667 11.221) 20.319 1.749 ( -5.230 -14.217 -5.065) 15.973 1.857 ( 5.582 -11.423 20.755) 24.339 2.137 ( 2.758 -12.839 5.280) 14.154 2.321 ( -2.149 -8.525 -1.836) 8.982 2.535 ( 5.122 -8.283 -1.299) 9.825 2.720 ( -1.425 -9.712 -0.123) 9.816 2.760 ( -0.725 -11.709 0.223) 11.733 2.838 ( 3.945 -11.549 0.042) 12.204 2.935 ( 0.124 0.083 -6.329) 6.331 2.970 ( 1.402 0.491 2.440) 2.857 3.156 ( 1.738 1.583 0.670) 2.444 3.291 ( -5.385 3.812 -1.837) 6.848 3.378 ( 3.915 -3.244 3.889) 6.401 3.482 ( -8.826 0.444 -8.564) 12.306 3.571 ( -4.795 -1.931 -4.818) 7.067 3.723 ( 1.802 5.493 -3.526) 6.772 3.861 ( -5.455 -2.714 -1.003) 6.175 3.927 ( 0.129 1.656 9.187) 9.336 4.144 ( 5.773 3.024 -6.404) 9.137 4.228 ( 0.616 -3.246 1.907) 3.815 4.536 ( 2.545 -2.184 6.511) 7.324 4.693 ( -0.931 3.832 -1.854) 4.358 4.904 ( -3.100 -5.617 -6.468) 9.110 5.000 ( 3.601 2.822 -7.290) 8.606 5.098 ( -0.553 -7.722 5.878) 9.721 5.176 ( -3.742 2.538 1.438) 4.745 5.279 ( -0.090 6.956 3.688) 7.873 5.347 ( -2.668 5.183 0.740) 5.877 5.499 ( -0.962 2.842 1.695) 3.446 5.564 ( 3.011 2.061 -3.929) 5.362 5.688 ( 5.734 4.335 0.728) 7.225 5.867 ( -1.639 1.828 0.815) 2.587 5.928 ( 1.657 -6.418 -3.966) 7.725 5.942 ( 0.656 0.641 -5.185) 5.266 6.199 ( 0.268 1.814 -2.624) 3.201 6.555 ( -3.102 -0.536 -7.497) 8.132 6.685 ( -0.687 4.275 4.600) 6.317 6.858 ( 2.470 3.712 1.110) 4.595 7.469 ( -0.854 -1.280 -0.620) 1.659 7.562 ( -1.151 1.341 -0.756) 1.922 7.710 ( 1.286 8.091 -1.624) 8.352 7.809 ( 0.951 2.807 -1.186) 3.193 7.961 ( 0.428 2.927 -1.222) 3.201 8.028 ( 0.531 -5.514 0.605) 5.573 8.211 ( -2.288 1.607 1.664) 3.253 8.278 ( -0.964 -1.089 1.251) 1.919 8.918 ( -13.235 0.391 6.161) 14.603 9.228 ( -4.634 1.422 2.450) 5.432 9.404 ( 5.017 2.081 2.968) 6.189 9.493 ( 4.340 1.326 4.683) 6.521 9.628 ( -0.425 -2.483 2.719) 3.706 10.217 ( -2.762 -3.521 -2.612) 5.181 10.255 ( 8.937 -1.466 2.255) 9.333 10.414 ( 3.273 -2.556 -1.273) 4.344 10.652 ( 3.691 -4.380 -1.928) 6.043 10.727 ( 3.515 -0.598 -10.442) 11.034 10.794 ( -7.270 1.077 0.965) 7.413 10.977 ( 3.476 -0.369 -2.022) 4.038 11.196 ( -3.704 -3.232 -1.655) 5.187 11.482 ( -6.175 2.463 2.548) 7.120 11.559 ( -7.598 -5.957 6.578) 11.682 11.827 ( 0.387 0.570 -0.825) 1.075 11.951 ( -2.701 3.388 3.391) 5.502 12.092 ( -2.223 4.509 -0.130) 5.029 12.246 ( 7.243 1.523 5.418) 9.173 12.707 ( -1.252 4.626 -3.525) 5.949 12.852 ( -0.126 7.213 4.562) 8.536 12.989 ( -0.738 4.145 2.326) 4.810 13.059 ( -6.955 1.661 1.450) 7.296 13.341 ( -0.426 1.316 -2.979) 3.285 13.657 ( -3.796 2.294 -3.240) 5.493 13.858 ( 2.505 -3.756 -1.126) 4.653 14.412 ( -9.273 -2.317 4.336) 10.496 14.928 ( -5.680 -5.774 -1.877) 8.314 15.748 ( 14.701 6.547 -0.514) 16.101 16.467 ( 8.278 -0.695 -0.929) 8.359 17.011 ( 2.950 -4.407 -10.179) 11.477 17.311 ( 3.297 -2.654 -3.439) 5.453 20.524 ( -4.010 5.195 6.759) 9.421 20.893 ( 5.248 0.431 -1.846) 5.580 21.170 ( -1.767 -0.505 0.002) 1.837 21.200 ( 0.590 3.673 4.673) 5.973 21.498 ( 4.700 -0.468 10.351) 11.378 21.718 ( -11.542 3.982 -6.286) 13.733 22.486 ( -3.625 -1.197 0.174) 3.821 22.836 ( -2.793 -5.136 -5.418) 7.971 22.928 ( -2.028 -6.423 2.578) 7.212 23.031 ( -8.536 -14.210 -4.871) 17.277 23.369 ( 2.880 -3.754 5.319) 7.119 23.501 ( -3.376 1.731 -2.155) 4.364 23.544 ( 0.596 -1.961 1.546) 2.567 23.645 ( -2.010 0.260 -1.804) 2.713 23.682 ( 0.296 1.524 -2.540) 2.977 24.031 ( 24.617 16.728 -0.002) 29.762 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 8.828 -9.112 9.705) 15.974 1.679 ( -7.069 -6.921 5.679) 11.407 1.949 ( 0.853 -6.778 -4.866) 8.387 2.166 ( 1.278 -9.080 11.854) 14.987 2.338 ( -0.421 -4.205 3.670) 5.597 2.444 ( 2.143 -4.834 3.020) 6.089 2.680 ( 0.384 -6.660 -0.305) 6.678 2.730 ( -0.261 4.258 -6.110) 7.452 2.834 ( 3.064 0.814 -3.881) 5.012 2.908 ( -3.006 -8.540 -3.719) 9.788 3.038 ( 0.837 0.896 -1.022) 1.596 3.117 ( -0.935 -2.530 2.945) 3.993 3.131 ( -4.111 -5.187 -0.520) 6.639 3.234 ( 0.794 -2.153 1.083) 2.537 3.319 ( -9.241 2.726 -5.225) 10.960 3.475 ( 1.887 1.066 -2.670) 3.439 3.658 ( 4.107 -9.895 -0.391) 10.720 3.732 ( 5.383 -3.623 -2.832) 7.079 3.881 ( -1.595 -2.162 2.670) 3.787 3.951 ( 2.600 1.601 6.487) 7.170 4.087 ( 5.842 3.403 -5.493) 8.711 4.277 ( -3.370 0.006 7.360) 8.095 4.545 ( -8.066 -0.845 1.067) 8.180 4.668 ( 3.348 0.158 -2.507) 4.186 4.942 ( -0.313 -3.508 -4.806) 5.959 4.961 ( 5.665 1.634 -6.546) 8.810 5.108 ( -4.837 1.729 2.747) 5.825 5.154 ( -3.790 2.809 1.560) 4.968 5.223 ( 2.834 1.195 2.391) 3.896 5.331 ( -3.333 -4.427 6.446) 8.501 5.476 ( 2.759 1.441 1.764) 3.578 5.555 ( 2.149 0.345 -3.337) 3.984 5.632 ( 1.932 3.784 -2.664) 5.015 5.742 ( -4.934 5.658 0.377) 7.517 5.919 ( 2.136 -1.573 -1.220) 2.920 6.101 ( 2.639 -6.278 -5.505) 8.756 6.170 ( -0.018 -1.537 -1.471) 2.127 6.476 ( -3.571 2.247 -5.543) 6.966 6.638 ( 1.798 3.649 6.112) 7.342 6.809 ( 1.696 3.626 0.447) 4.028 7.473 ( -4.162 -1.545 -2.478) 5.084 7.541 ( 3.444 2.412 1.937) 4.630 7.586 ( 1.106 4.124 -0.696) 4.326 7.742 ( -1.263 4.600 2.876) 5.570 7.908 ( 0.900 0.537 -5.173) 5.278 8.115 ( 1.862 -2.096 1.508) 3.184 8.157 ( -5.113 0.069 -0.636) 5.153 8.270 ( -1.475 2.290 3.185) 4.191 8.860 ( -8.501 -0.972 3.284) 9.165 9.208 ( -4.976 -2.429 -0.118) 5.538 9.391 ( 5.820 5.727 4.078) 9.127 9.545 ( 2.855 0.637 5.351) 6.099 9.667 ( -1.375 -1.641 0.743) 2.267 10.248 ( -2.785 -3.956 -3.064) 5.727 10.367 ( 7.412 0.568 3.387) 8.169 10.456 ( 5.578 -0.841 -2.265) 6.079 10.682 ( 4.404 1.123 -4.738) 6.565 10.724 ( -0.229 -1.126 -9.022) 9.095 10.814 ( -4.560 -7.874 2.637) 9.474 10.995 ( 5.106 0.599 -7.486) 9.081 11.199 ( -2.817 2.033 4.324) 5.547 11.424 ( -3.532 -1.406 1.540) 4.102 11.648 ( -7.276 -5.572 4.832) 10.360 11.815 ( 4.089 6.258 -0.517) 7.494 11.835 ( -2.609 1.465 2.856) 4.137 12.022 ( -3.165 1.428 1.398) 3.743 12.294 ( 2.488 1.261 4.500) 5.294 12.639 ( 7.453 2.885 -6.269) 10.158 12.723 ( -0.873 9.029 6.363) 11.081 12.913 ( -12.698 2.626 -0.036) 12.967 12.980 ( 1.269 0.024 0.676) 1.438 13.282 ( -2.656 0.281 -2.791) 3.863 13.661 ( 3.160 -2.296 -3.120) 4.999 13.931 ( -0.740 -3.351 -0.104) 3.434 14.372 ( -7.844 -0.016 2.619) 8.270 14.993 ( -1.260 -4.172 0.340) 4.371 15.737 ( 6.459 3.868 0.899) 7.582 16.526 ( 5.402 -0.041 -1.386) 5.577 17.041 ( 1.463 -2.058 -4.917) 5.527 17.359 ( 2.782 -1.479 -3.142) 4.449 20.450 ( -3.090 3.333 5.520) 7.151 20.893 ( 3.627 2.203 -2.684) 5.021 21.148 ( -2.351 -0.549 -1.012) 2.618 21.230 ( 2.829 -0.948 2.155) 3.681 21.526 ( -2.553 2.004 2.886) 4.343 21.593 ( 1.302 3.292 2.258) 4.199 22.485 ( -3.869 -1.857 0.880) 4.381 22.862 ( -3.019 -3.859 -5.836) 7.620 23.020 ( -3.996 -4.426 -0.219) 5.967 23.175 ( -2.917 -8.415 -1.665) 9.061 23.420 ( -2.024 1.145 -1.519) 2.778 23.479 ( 1.727 -2.516 0.252) 3.063 23.593 ( 0.755 0.711 -0.807) 1.314 23.604 ( -1.897 -2.100 2.166) 3.564 23.705 ( 0.535 -2.736 0.000) 2.788 23.900 ( 14.217 14.763 1.371) 20.541 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -5.540 2.728 10.869) 12.500 1.745 ( 0.164 -1.898 -2.802) 3.389 1.889 ( -0.586 10.107 1.495) 10.234 2.247 ( -1.948 -0.488 -0.875) 2.191 2.457 ( 2.734 0.078 7.927) 8.385 2.493 ( -1.353 2.410 1.456) 3.123 2.640 ( 2.736 3.822 -4.042) 6.199 2.765 ( 1.148 2.433 -0.740) 2.790 2.810 ( -0.195 0.415 -3.173) 3.206 2.939 ( -2.985 -6.948 -10.939) 13.299 2.991 ( 1.427 -0.720 2.324) 2.821 3.139 ( -4.595 3.679 -3.272) 6.735 3.166 ( 7.339 -1.984 -6.779) 10.185 3.239 ( -4.612 0.157 1.985) 5.024 3.312 ( -1.714 -5.928 3.442) 7.066 3.487 ( -1.495 -3.099 0.371) 3.461 3.767 ( -3.415 -1.138 3.462) 4.994 3.861 ( 1.524 -6.105 1.832) 6.554 3.892 ( 11.151 5.653 -1.320) 12.572 3.960 ( 4.328 2.492 2.162) 5.442 4.105 ( 4.548 1.353 -4.227) 6.354 4.183 ( -4.385 8.824 8.011) 12.699 4.531 ( -5.712 -2.656 0.042) 6.300 4.673 ( 0.060 -0.644 -1.492) 1.626 4.905 ( 0.969 1.781 -6.498) 6.807 5.022 ( -4.018 -1.778 -2.397) 5.005 5.071 ( 0.831 -2.245 0.485) 2.442 5.114 ( -4.264 -1.416 5.955) 7.460 5.297 ( 4.886 -4.077 -0.135) 6.365 5.353 ( -0.721 1.997 2.926) 3.616 5.449 ( 3.449 6.760 -2.274) 7.922 5.533 ( -3.489 -2.154 2.343) 4.723 5.584 ( -3.802 -1.494 -1.862) 4.489 5.705 ( 2.835 -1.517 0.904) 3.340 5.985 ( 3.506 -2.488 0.829) 4.378 6.161 ( 2.932 -1.715 -2.376) 4.146 6.220 ( -3.932 -3.584 -0.127) 5.322 6.384 ( -3.876 0.431 -5.194) 6.495 6.651 ( 1.905 0.129 5.026) 5.377 6.775 ( 4.972 2.952 0.670) 5.821 7.455 ( -3.058 -2.160 -2.523) 4.515 7.528 ( 4.397 1.373 0.462) 4.630 7.589 ( 0.650 -2.194 -0.114) 2.291 7.655 ( -3.877 4.027 2.694) 6.205 7.930 ( 2.013 -4.315 -4.155) 6.319 8.105 ( -2.947 0.242 1.868) 3.498 8.186 ( 1.335 0.184 0.166) 1.358 8.212 ( -3.185 0.905 2.157) 3.952 8.833 ( -3.489 0.475 2.602) 4.378 9.228 ( -6.971 -5.811 -2.184) 9.334 9.339 ( 3.848 6.889 4.784) 9.227 9.542 ( 1.136 3.658 3.942) 5.496 9.689 ( 0.134 -1.132 -0.172) 1.153 10.256 ( -5.311 -1.899 -3.682) 6.735 10.387 ( 5.395 4.089 2.555) 7.236 10.499 ( 6.312 1.338 -0.745) 6.495 10.659 ( -0.578 1.680 -5.056) 5.359 10.749 ( 1.722 -4.561 -1.479) 5.094 10.894 ( 3.548 0.237 -13.496) 13.956 10.976 ( 0.138 -2.537 0.890) 2.692 11.157 ( -2.196 1.571 4.968) 5.654 11.454 ( -4.050 -2.262 4.848) 6.710 11.669 ( 4.855 8.552 -2.941) 10.264 11.710 ( 0.665 -3.299 0.899) 3.484 11.910 ( -5.286 -5.050 8.355) 11.101 12.001 ( 1.200 0.689 2.505) 2.862 12.283 ( -1.355 2.223 3.080) 4.033 12.510 ( -8.876 4.343 -6.751) 11.967 12.708 ( 12.831 0.781 -2.505) 13.096 12.802 ( -0.154 3.151 0.082) 3.156 13.014 ( -2.212 -2.663 3.042) 4.608 13.260 ( -0.791 -0.572 -2.505) 2.689 13.706 ( 2.139 -0.951 -1.977) 3.064 13.969 ( -2.562 -2.094 0.848) 3.416 14.335 ( -2.669 0.348 2.370) 3.586 15.043 ( 1.648 -0.118 1.591) 2.294 15.738 ( -1.462 -1.324 1.597) 2.538 16.548 ( 0.359 -0.574 -1.252) 1.424 17.082 ( 0.747 -3.684 -2.044) 4.279 17.375 ( 2.382 0.329 -3.192) 3.996 20.404 ( -2.764 1.669 4.285) 5.366 20.863 ( 2.433 1.350 -3.962) 4.842 21.128 ( -3.246 -0.011 -1.568) 3.605 21.263 ( 1.349 0.151 1.588) 2.089 21.534 ( 0.246 2.846 -1.541) 3.246 21.556 ( 5.144 -0.225 7.532) 9.124 22.498 ( -2.606 -1.734 1.182) 3.346 22.868 ( -2.334 -2.417 -5.745) 6.655 23.012 ( -3.327 0.597 -2.916) 4.464 23.252 ( 0.655 -0.825 -0.588) 1.206 23.407 ( 0.351 -0.931 0.144) 1.005 23.498 ( 0.964 1.887 -1.197) 2.434 23.578 ( -0.450 -0.904 -1.363) 1.696 23.670 ( -2.404 -4.131 3.466) 5.904 23.730 ( 5.185 6.484 0.138) 8.303 23.806 ( -0.276 -1.582 2.437) 2.918 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -17.181 9.709 11.243) 22.712 1.548 ( -6.577 17.258 -3.732) 18.842 1.758 ( 4.653 9.519 6.176) 12.264 2.164 ( 2.859 14.502 -0.017) 14.781 2.285 ( -1.402 10.159 -4.199) 11.082 2.489 ( 0.357 2.220 3.301) 3.994 2.541 ( 4.016 7.256 -4.637) 9.502 2.723 ( 3.124 1.224 -4.447) 5.571 2.807 ( 1.943 -0.643 -2.801) 3.469 2.931 ( 0.189 5.110 -2.795) 5.827 2.979 ( -3.253 7.843 -2.133) 8.755 3.089 ( -1.970 -6.304 1.581) 6.791 3.184 ( 1.727 -1.657 -3.918) 4.591 3.269 ( 0.303 -2.746 0.768) 2.867 3.393 ( -1.872 0.983 1.216) 2.440 3.588 ( 3.155 -9.199 -0.311) 9.730 3.666 ( -6.888 13.564 7.497) 16.960 3.799 ( -0.521 3.433 3.062) 4.629 3.931 ( -0.689 2.138 4.576) 5.097 3.986 ( 14.146 1.139 0.632) 14.206 4.081 ( 0.935 -2.834 -7.216) 7.809 4.140 ( 5.660 2.209 4.706) 7.685 4.462 ( -8.510 3.733 -4.216) 10.204 4.678 ( -2.242 -1.256 -0.159) 2.575 4.860 ( 3.121 0.864 -3.939) 5.099 4.970 ( -3.679 0.025 -3.495) 5.075 5.114 ( -3.512 -2.127 1.020) 4.231 5.189 ( 0.049 -4.983 4.967) 7.035 5.349 ( -0.555 -1.276 1.470) 2.024 5.374 ( 5.510 0.715 2.993) 6.311 5.407 ( -2.132 -0.657 -0.228) 2.243 5.547 ( -1.970 -2.122 -2.796) 4.025 5.612 ( -3.841 -3.215 1.414) 5.205 5.768 ( 4.791 -1.523 -0.923) 5.111 6.049 ( 6.148 2.501 -3.124) 7.335 6.170 ( -0.528 -1.183 4.398) 4.585 6.266 ( -5.105 -4.286 -2.126) 6.997 6.339 ( -4.597 -2.983 -2.525) 6.034 6.686 ( 0.782 -0.689 -1.276) 1.648 6.794 ( 7.436 2.338 3.223) 8.435 7.495 ( -3.299 -5.012 -0.858) 6.061 7.565 ( -1.100 -1.117 -2.884) 3.283 7.603 ( 2.570 -1.986 3.380) 4.688 7.673 ( 1.948 -5.837 0.219) 6.158 8.019 ( 1.831 -3.747 -2.617) 4.924 8.083 ( -5.737 3.120 2.543) 7.009 8.116 ( 0.624 0.647 -1.214) 1.510 8.268 ( 2.175 -2.201 3.121) 4.395 8.802 ( -2.637 1.332 2.399) 3.806 9.248 ( 3.520 4.646 -0.050) 5.829 9.291 ( -5.303 -4.351 2.003) 7.146 9.500 ( 1.805 4.116 2.745) 5.266 9.695 ( -3.002 -0.341 0.957) 3.169 10.191 ( -7.614 0.143 -4.867) 9.038 10.331 ( 1.082 4.995 1.679) 5.379 10.527 ( 5.801 4.628 -0.520) 7.439 10.578 ( 2.461 1.242 -3.201) 4.225 10.767 ( 2.626 5.394 -5.916) 8.425 10.886 ( 3.155 -5.164 -1.790) 6.311 11.046 ( -3.281 -4.171 -1.094) 5.419 11.140 ( 1.660 2.142 0.256) 2.723 11.506 ( -1.517 -2.764 5.674) 6.492 11.566 ( 6.027 5.647 -0.691) 8.288 11.783 ( 2.606 -2.199 0.410) 3.434 11.965 ( -3.002 1.017 8.504) 9.076 12.030 ( 2.087 -0.923 0.341) 2.307 12.220 ( -5.560 3.074 1.950) 6.646 12.424 ( -4.000 -6.623 -3.932) 8.679 12.747 ( 0.698 -1.586 -4.137) 4.485 12.840 ( 12.333 -0.485 -0.704) 12.363 13.064 ( -0.243 -1.760 3.131) 3.600 13.254 ( 1.665 0.017 -3.732) 4.087 13.703 ( 0.067 1.321 -1.884) 2.302 13.976 ( -3.906 -1.063 1.397) 4.283 14.333 ( 3.152 1.796 1.656) 3.988 15.034 ( 4.610 4.813 1.646) 6.865 15.785 ( -9.907 -7.807 2.252) 12.812 16.541 ( -5.713 -1.291 0.515) 5.880 17.169 ( 0.077 -6.445 -2.640) 6.965 17.356 ( 2.678 1.882 -3.578) 4.849 20.392 ( -2.491 -0.433 4.574) 5.226 20.851 ( 2.036 -0.424 -4.632) 5.077 21.081 ( -2.849 1.242 -0.265) 3.119 21.278 ( 0.751 0.534 2.429) 2.598 21.427 ( -1.584 5.822 -0.923) 6.103 21.736 ( 11.077 -5.952 7.039) 14.411 22.510 ( -1.129 -0.728 0.326) 1.382 22.851 ( -0.146 0.104 -4.661) 4.664 22.933 ( -0.954 3.764 -2.939) 4.870 23.221 ( -0.624 3.487 -0.767) 3.625 23.362 ( 3.485 8.051 -2.562) 9.139 23.478 ( 2.707 0.974 0.800) 2.986 23.590 ( -0.641 -1.035 -0.632) 1.371 23.666 ( 1.935 2.494 0.904) 3.284 23.755 ( -4.006 -5.540 4.532) 8.202 23.877 ( -9.156 -8.013 -1.361) 12.243 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( -17.901 13.660 17.145) 28.302 1.110 ( -9.400 21.266 5.584) 23.912 1.466 ( -8.942 24.161 1.662) 25.816 1.801 ( 2.842 23.154 -1.423) 23.371 2.161 ( 8.440 6.940 5.009) 12.021 2.384 ( 1.486 5.360 -7.680) 9.483 2.423 ( -0.533 10.528 -0.958) 10.585 2.579 ( 5.279 12.649 -6.483) 15.163 2.770 ( -0.023 9.831 2.425) 10.126 2.826 ( 2.161 1.691 0.034) 2.744 2.966 ( -2.934 5.140 1.593) 6.129 3.012 ( -4.880 -1.318 -1.542) 5.285 3.120 ( -3.083 1.213 -0.509) 3.352 3.341 ( 2.379 2.146 -1.528) 3.550 3.388 ( 1.638 -5.489 -0.952) 5.806 3.536 ( 3.299 -1.126 4.813) 5.943 3.742 ( 1.125 5.487 2.061) 5.968 3.809 ( -2.479 -7.749 2.310) 8.457 3.937 ( 3.495 -2.042 0.844) 4.135 4.042 ( 4.034 1.323 -4.781) 6.393 4.093 ( 8.333 4.651 5.632) 11.081 4.217 ( -4.808 -4.782 -3.458) 7.612 4.260 ( -3.392 3.391 -5.583) 7.360 4.709 ( -1.942 -4.389 2.560) 5.439 4.843 ( -1.321 0.841 -1.478) 2.153 4.968 ( 5.802 0.383 -1.710) 6.060 5.143 ( -0.882 -2.248 3.000) 3.851 5.297 ( 0.467 2.758 1.034) 2.982 5.338 ( -6.886 -3.756 4.863) 9.229 5.413 ( -5.467 -5.849 -0.413) 8.017 5.466 ( 5.464 -2.976 -0.014) 6.222 5.540 ( -1.434 -2.830 -6.405) 7.147 5.645 ( -1.766 -3.635 0.146) 4.043 5.799 ( 5.117 3.159 -1.320) 6.157 5.962 ( 2.359 5.732 -2.173) 6.569 6.157 ( -5.995 1.663 -3.821) 7.301 6.324 ( -3.896 -5.454 -1.004) 6.777 6.411 ( 2.485 -3.749 5.261) 6.922 6.681 ( 3.043 0.153 -5.745) 6.503 6.811 ( 5.344 3.138 1.011) 6.280 7.494 ( -3.156 -0.693 -0.486) 3.267 7.648 ( -1.602 -7.874 -2.357) 8.374 7.715 ( 3.120 -3.790 2.626) 5.567 7.816 ( 1.873 -6.701 -1.715) 7.166 7.988 ( -3.450 2.438 1.266) 4.410 7.991 ( 0.863 6.839 -1.417) 7.038 8.135 ( 1.545 -0.798 -0.164) 1.746 8.346 ( 0.812 -2.566 2.846) 3.917 8.790 ( -0.816 -0.208 6.410) 6.465 9.225 ( 8.634 2.827 2.001) 9.303 9.357 ( -4.500 -5.760 -0.081) 7.310 9.444 ( -0.199 3.798 3.909) 5.454 9.659 ( -8.477 -0.299 1.587) 8.629 10.106 ( -4.446 0.057 -4.423) 6.272 10.274 ( 0.080 2.139 1.069) 2.393 10.438 ( 3.838 4.993 -6.832) 9.292 10.561 ( 1.654 6.033 3.021) 6.947 10.691 ( 7.438 2.539 -5.992) 9.883 10.992 ( -8.223 -4.504 6.570) 11.449 11.062 ( -6.606 -3.797 -2.870) 8.142 11.119 ( 15.465 4.023 -3.423) 16.342 11.537 ( 6.753 1.477 1.586) 7.092 11.593 ( -1.731 -1.790 5.749) 6.265 11.828 ( 3.406 0.925 0.414) 3.553 11.925 ( 5.995 6.599 2.792) 9.342 12.061 ( -2.960 -3.126 0.406) 4.324 12.169 ( -6.544 -2.442 3.519) 7.822 12.609 ( 0.120 -13.776 3.254) 14.155 12.795 ( 4.092 -3.133 -1.857) 5.478 12.941 ( 5.087 -2.634 -1.809) 6.007 13.100 ( 4.967 1.462 1.872) 5.506 13.235 ( 2.082 1.331 -6.389) 6.851 13.623 ( -1.228 5.866 -4.179) 7.306 13.974 ( -4.095 -1.984 2.269) 5.085 14.318 ( 6.272 5.228 1.109) 8.240 14.970 ( 7.964 8.014 0.143) 11.299 15.876 ( -18.004 -13.158 2.509) 22.441 16.504 ( -11.509 -1.606 2.894) 11.976 17.251 ( -3.097 -3.963 -5.748) 7.638 17.339 ( 2.810 -1.568 -7.260) 7.941 20.438 ( -2.293 -3.608 8.613) 9.616 20.856 ( 1.974 -0.904 -5.915) 6.301 21.057 ( -0.835 -0.009 4.358) 4.438 21.271 ( -1.193 1.372 -0.024) 1.818 21.304 ( -1.265 5.348 2.616) 6.086 22.020 ( 14.661 -8.481 7.740) 18.622 22.505 ( 0.529 0.738 -1.436) 1.699 22.815 ( 7.026 5.158 -0.605) 8.737 22.856 ( 0.581 1.999 -2.146) 2.990 23.089 ( -6.348 5.941 -5.593) 10.338 23.231 ( 10.141 10.833 2.115) 14.989 23.478 ( 2.743 1.673 0.018) 3.213 23.598 ( -1.006 -0.830 -0.120) 1.309 23.661 ( 0.669 0.251 0.443) 0.841 23.837 ( -8.220 -6.159 0.009) 10.272 23.904 ( -18.943 -9.167 -4.771) 21.578 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( -2.083 19.837 22.617) 30.156 0.762 ( -11.001 18.839 21.288) 30.482 0.829 ( -19.245 25.786 11.729) 34.247 1.439 ( 2.313 16.729 3.324) 17.212 2.050 ( -0.668 14.016 0.110) 14.033 2.226 ( 6.344 7.522 2.370) 10.121 2.292 ( -2.284 1.151 -4.949) 5.571 2.396 ( 5.686 7.755 -6.212) 11.448 2.597 ( 0.149 8.838 5.846) 10.597 2.658 ( -5.027 8.556 -1.814) 10.088 2.872 ( -1.369 2.000 3.010) 3.865 3.110 ( 2.478 -2.773 0.753) 3.794 3.190 ( -0.105 -9.576 -3.689) 10.263 3.339 ( -0.173 -0.805 -2.555) 2.684 3.427 ( 0.728 0.904 -2.246) 2.528 3.580 ( 6.637 3.186 1.789) 7.576 3.731 ( 1.166 -2.829 -4.019) 5.051 3.880 ( -6.161 -3.172 1.690) 7.133 3.934 ( -2.887 7.043 3.000) 8.182 4.000 ( 0.394 -2.462 -2.910) 3.832 4.058 ( 6.285 1.749 -6.074) 8.913 4.232 ( -1.429 -3.933 -0.787) 4.258 4.304 ( -1.280 -1.941 1.965) 3.045 4.785 ( -2.669 -0.772 -0.161) 2.783 4.857 ( 2.801 -3.338 3.628) 5.671 4.953 ( 0.039 4.386 0.331) 4.399 5.176 ( -1.580 1.208 -2.279) 3.025 5.223 ( 0.729 -2.538 3.155) 4.114 5.405 ( -5.321 -2.368 -5.156) 7.779 5.453 ( -0.255 -2.305 0.340) 2.344 5.493 ( 1.252 -0.767 1.943) 2.435 5.653 ( 2.069 -7.454 -6.412) 10.048 5.712 ( 1.573 4.642 -0.681) 4.948 5.744 ( -1.717 -5.258 -0.830) 5.593 5.950 ( -0.827 -1.518 4.173) 4.517 6.030 ( 2.002 3.286 -5.320) 6.566 6.290 ( -9.115 1.821 2.319) 9.580 6.485 ( 17.280 9.769 1.741) 19.927 6.680 ( 4.997 0.893 -4.778) 6.971 6.804 ( 2.009 -0.312 -2.575) 3.281 7.506 ( -0.778 -3.162 -1.045) 3.419 7.701 ( -3.526 -1.072 -3.934) 5.391 7.786 ( -0.991 3.625 -0.404) 3.780 7.829 ( 1.739 2.461 1.751) 3.485 7.906 ( 1.328 -3.805 -2.566) 4.778 7.982 ( 0.064 0.822 0.897) 1.218 8.142 ( 1.080 1.309 1.377) 2.185 8.375 ( -1.826 -0.691 -1.614) 2.534 8.905 ( 3.125 -5.702 14.853) 16.214 9.280 ( 5.151 0.247 1.708) 5.433 9.412 ( -0.129 -2.192 0.254) 2.210 9.460 ( 2.571 -1.599 6.221) 6.919 9.599 ( -13.795 -4.699 3.474) 14.981 10.071 ( 2.110 1.047 -4.610) 5.177 10.266 ( 1.959 0.943 0.768) 2.306 10.308 ( -2.061 6.855 -6.254) 9.505 10.480 ( 3.431 4.118 -0.695) 5.405 10.698 ( 8.375 1.087 -5.658) 10.165 10.981 ( -2.945 -0.231 -0.261) 2.966 11.021 ( -5.543 0.811 1.819) 5.890 11.292 ( 4.487 -9.206 5.942) 11.840 11.606 ( -3.157 0.117 2.587) 4.083 11.616 ( 5.796 -2.432 1.659) 6.501 11.805 ( 2.034 2.780 -1.110) 3.619 11.892 ( 8.949 5.974 3.410) 11.287 12.130 ( -0.750 -4.940 1.664) 5.266 12.204 ( -5.257 -4.195 6.428) 9.303 12.893 ( 4.394 -3.719 1.364) 5.916 12.963 ( 15.460 -13.104 15.966) 25.800 12.982 ( 1.196 -0.065 -6.776) 6.881 13.122 ( 11.107 3.591 0.188) 11.674 13.165 ( -0.773 2.678 -5.569) 6.227 13.422 ( 0.042 10.111 -5.246) 11.391 14.025 ( -2.309 -5.384 3.180) 6.666 14.265 ( 6.281 6.597 3.003) 9.591 14.866 ( 13.487 12.938 -3.533) 19.021 15.988 ( -29.677 -19.526 1.083) 35.541 16.440 ( -18.218 -3.010 2.664) 18.656 17.198 ( -13.614 2.585 -21.184) 25.314 17.255 ( -1.562 5.532 -12.285) 13.564 20.617 ( -2.055 -11.794 14.138) 18.526 20.846 ( 2.143 0.122 -6.754) 7.087 21.132 ( 2.406 -0.486 9.151) 9.474 21.223 ( -2.879 -3.772 3.587) 5.948 21.287 ( -1.065 -2.574 8.502) 8.947 22.309 ( -1.100 -9.529 -2.628) 9.946 22.499 ( 7.834 1.327 0.928) 7.999 22.826 ( 10.314 2.784 -0.485) 10.694 22.879 ( 28.737 5.511 11.431) 31.415 22.879 ( -5.518 5.974 -5.275) 9.694 23.130 ( 11.980 13.490 -0.812) 18.060 23.470 ( 1.992 1.126 0.161) 2.294 23.600 ( -3.012 -0.884 -0.788) 3.237 23.661 ( -1.307 0.190 -1.779) 2.216 23.676 ( -40.334 -3.280 -19.278) 44.824 23.910 ( -7.785 -3.009 3.174) 8.929 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 16.862 0.000 17.137) 24.041 0.894 ( 16.356 0.000 18.534) 24.719 1.280 ( -1.924 -0.000 0.347) 1.955 1.650 ( 11.087 0.000 28.505) 30.585 1.756 ( -7.107 -0.000 -3.410) 7.883 2.026 ( -0.531 -0.000 3.443) 3.483 2.338 ( -2.909 -0.000 -1.871) 3.458 2.363 ( 7.084 0.000 7.235) 10.126 2.517 ( 1.118 0.000 4.232) 4.378 2.563 ( 3.904 0.000 -3.657) 5.349 2.923 ( -7.804 -0.000 -16.166) 17.951 2.956 ( 2.337 0.000 6.819) 7.208 3.295 ( 1.192 0.000 -4.344) 4.505 3.307 ( -3.762 -0.000 -6.745) 7.723 3.368 ( -0.211 -0.000 3.181) 3.188 3.625 ( -4.817 -0.000 0.691) 4.866 3.651 ( -7.639 -0.000 -4.533) 8.883 3.806 ( -2.350 -0.000 -4.375) 4.966 3.815 ( 7.940 0.000 -2.983) 8.482 3.929 ( -7.689 -0.000 10.550) 13.055 4.107 ( 2.025 0.000 -7.688) 7.950 4.192 ( 5.084 0.000 4.746) 6.955 4.457 ( 4.303 0.000 6.364) 7.682 4.751 ( -13.525 -0.000 -8.978) 16.234 4.852 ( 3.235 0.000 3.599) 4.839 4.912 ( 3.866 0.000 0.639) 3.919 5.071 ( 3.040 0.000 -2.968) 4.248 5.243 ( -2.143 -0.000 0.715) 2.259 5.399 ( -3.309 -0.000 0.614) 3.365 5.463 ( -3.272 -0.000 -0.004) 3.272 5.529 ( -0.808 -0.000 -3.426) 3.520 5.587 ( 4.840 0.000 -3.991) 6.273 5.787 ( 6.877 0.000 0.279) 6.883 5.809 ( 1.981 0.000 1.901) 2.746 5.939 ( 5.353 0.000 -0.520) 5.378 6.078 ( -5.723 -0.000 7.280) 9.260 6.343 ( -0.015 -0.000 5.173) 5.173 6.378 ( -7.395 -0.000 -9.554) 12.082 6.690 ( -4.061 -0.000 -5.193) 6.593 7.106 ( 16.393 0.000 -9.225) 18.810 7.490 ( -2.367 -0.000 -3.952) 4.606 7.633 ( 0.456 0.000 -2.348) 2.392 7.636 ( 0.057 0.000 0.596) 0.598 7.931 ( -1.293 -0.000 1.130) 1.717 7.932 ( 3.953 0.000 -4.165) 5.742 7.982 ( 1.373 0.000 0.869) 1.625 8.206 ( 2.003 0.000 5.121) 5.499 8.264 ( -2.438 -0.000 -3.924) 4.620 9.054 ( -22.402 -0.000 8.298) 23.889 9.219 ( -8.410 -0.000 1.716) 8.583 9.444 ( -3.545 -0.000 9.383) 10.031 9.555 ( 5.850 0.000 5.536) 8.054 9.583 ( 2.638 0.000 -0.874) 2.779 10.031 ( -3.549 -0.000 -0.763) 3.630 10.248 ( 10.879 0.000 1.225) 10.947 10.305 ( -0.812 -0.000 0.819) 1.153 10.512 ( 2.588 0.000 -0.120) 2.591 10.726 ( 1.702 0.000 -12.966) 13.077 10.841 ( -10.374 -0.000 2.860) 10.761 11.004 ( 3.727 0.000 -0.685) 3.789 11.029 ( -17.799 -0.000 15.748) 23.766 11.408 ( -4.834 -0.000 6.668) 8.236 11.577 ( -2.592 -0.000 0.557) 2.652 11.803 ( 0.626 0.000 -1.267) 1.413 11.994 ( 5.198 0.000 5.961) 7.909 12.274 ( 1.121 0.000 -0.405) 1.192 12.289 ( 4.735 0.000 3.338) 5.793 12.815 ( -11.537 -0.000 -0.329) 11.542 12.816 ( 2.614 0.000 -7.677) 8.110 13.163 ( 6.686 0.000 0.699) 6.722 13.223 ( -4.468 -0.000 -0.041) 4.468 13.321 ( 5.844 0.000 -5.431) 7.978 13.781 ( -4.442 -0.000 3.087) 5.409 13.993 ( -12.694 -0.000 -6.879) 14.438 14.416 ( -30.269 -0.000 15.258) 33.897 14.495 ( -10.317 -0.000 -2.793) 10.688 16.145 ( 54.291 0.000 -25.186) 59.849 16.442 ( 15.402 0.000 -1.105) 15.441 16.662 ( -1.328 -0.000 5.651) 5.805 17.249 ( 4.472 0.000 -3.050) 5.413 20.665 ( -6.321 -0.000 0.028) 6.321 20.875 ( 5.340 0.000 -2.403) 5.856 21.308 ( 1.121 0.000 3.820) 3.981 21.333 ( 1.048 0.000 12.388) 12.432 21.636 ( 1.658 0.000 -1.538) 2.262 21.648 ( -26.322 -0.000 14.065) 29.845 22.273 ( -7.013 -0.000 -4.350) 8.253 22.619 ( 2.407 0.000 0.604) 2.482 22.639 ( -3.802 -0.000 -1.460) 4.073 22.859 ( -1.218 -0.000 -1.120) 1.655 23.300 ( 2.477 0.000 6.961) 7.389 23.491 ( -1.234 -0.000 2.628) 2.903 23.539 ( -2.056 -0.000 -3.346) 3.927 23.634 ( -0.362 -0.000 -1.515) 1.558 23.742 ( -3.962 -0.000 -5.491) 6.771 24.541 ( 33.308 0.000 -15.241) 36.630 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( 18.320 -4.121 13.729) 23.261 1.312 ( 12.334 -12.597 13.960) 22.487 1.411 ( -6.566 -12.771 -7.291) 16.104 1.760 ( -1.363 -10.736 9.221) 14.218 1.914 ( -6.396 -15.221 7.339) 18.068 2.202 ( 9.904 -4.708 6.085) 12.541 2.388 ( -0.860 -7.634 -2.019) 7.943 2.530 ( -2.774 -5.889 7.224) 9.724 2.578 ( 0.968 -5.945 3.406) 6.920 2.713 ( 13.637 -10.009 -0.438) 16.922 2.815 ( -5.350 -3.258 -12.770) 14.224 3.018 ( 1.027 -0.875 7.973) 8.086 3.199 ( -4.763 1.947 -7.148) 8.807 3.263 ( -2.919 -1.289 -8.073) 8.681 3.359 ( -2.775 3.901 -1.044) 4.900 3.489 ( 1.362 4.973 5.555) 7.579 3.578 ( -3.603 4.033 -2.215) 5.845 3.728 ( -5.915 1.033 -4.624) 7.579 3.817 ( -0.865 -0.127 -0.403) 0.962 4.010 ( 3.255 -0.395 13.085) 13.489 4.142 ( 5.211 -3.963 -9.014) 11.140 4.234 ( 2.297 1.774 2.686) 3.954 4.526 ( -3.855 -0.727 0.123) 3.925 4.621 ( -7.101 -4.463 -4.225) 9.391 4.871 ( 6.865 2.364 -2.883) 7.812 5.006 ( 3.204 -4.524 3.221) 6.412 5.060 ( 3.370 2.246 -1.525) 4.327 5.195 ( -3.654 2.071 -0.601) 4.243 5.350 ( -2.857 1.960 1.457) 3.758 5.402 ( -6.217 1.977 0.596) 6.551 5.497 ( -3.493 -0.003 -2.602) 4.356 5.642 ( 1.732 2.995 -2.596) 4.325 5.749 ( 2.392 -0.952 0.085) 2.576 5.865 ( 11.285 1.036 -1.809) 11.476 5.949 ( 2.060 4.541 2.594) 5.621 6.025 ( -2.146 5.158 0.738) 5.635 6.236 ( -0.743 4.051 -3.003) 5.097 6.410 ( -6.292 -6.230 -2.644) 9.241 6.667 ( -4.013 -2.449 -1.349) 4.891 7.057 ( 8.956 9.636 -2.583) 13.406 7.449 ( -1.293 0.783 -0.778) 1.700 7.585 ( 2.706 0.903 -0.205) 2.860 7.762 ( 0.585 -5.734 -3.651) 6.822 7.857 ( 0.904 4.170 -2.442) 4.917 7.956 ( 0.574 0.420 0.100) 0.718 8.003 ( -1.015 -0.172 0.809) 1.309 8.205 ( -3.640 0.897 -2.281) 4.388 8.272 ( 3.197 -1.376 4.284) 5.520 8.836 ( -19.436 3.188 5.086) 20.342 9.204 ( -8.016 -2.157 2.125) 8.568 9.460 ( 0.752 0.289 6.691) 6.739 9.593 ( 2.180 0.787 3.065) 3.843 9.634 ( 5.741 1.068 3.843) 6.991 10.086 ( -1.520 -6.791 -4.010) 8.031 10.295 ( 3.129 -1.020 0.875) 3.406 10.393 ( 5.523 -4.023 0.659) 6.865 10.563 ( -0.693 -4.154 -0.750) 4.278 10.667 ( -0.377 -0.649 -12.556) 12.578 10.764 ( -7.007 1.028 1.369) 7.213 11.009 ( 1.055 1.035 1.372) 2.017 11.072 ( -3.653 -4.828 8.757) 10.646 11.427 ( -4.976 -1.470 8.205) 9.707 11.539 ( -2.624 2.014 0.914) 3.432 11.805 ( -1.740 -1.208 -1.349) 2.511 12.034 ( 3.756 3.043 4.851) 6.848 12.202 ( 1.784 7.342 -1.126) 7.639 12.362 ( 6.741 0.544 4.227) 7.975 12.688 ( -6.998 1.031 -2.821) 7.615 12.870 ( 0.533 -4.558 -3.592) 5.827 13.065 ( -5.655 7.532 1.622) 9.557 13.194 ( 3.153 6.460 2.977) 7.780 13.355 ( 4.090 -0.080 -4.791) 6.300 13.681 ( -10.739 9.518 -6.578) 15.786 13.780 ( -4.281 -2.844 2.100) 5.552 14.276 ( -13.279 -3.248 4.729) 14.465 14.609 ( -16.796 -15.038 0.643) 22.553 16.175 ( 31.103 16.851 -9.131) 36.534 16.561 ( 11.671 0.966 2.245) 11.924 16.857 ( 5.690 -9.878 -7.612) 13.707 17.288 ( 4.417 -1.583 -2.794) 5.461 20.589 ( -5.106 2.849 2.276) 6.275 20.921 ( 5.390 -0.821 -2.106) 5.845 21.239 ( 0.449 6.317 5.351) 8.291 21.318 ( -2.340 6.167 5.071) 8.320 21.564 ( -5.783 -1.340 9.384) 11.104 21.664 ( 0.633 0.315 2.343) 2.447 22.368 ( -7.480 -10.704 -3.295) 13.468 22.576 ( -6.434 -4.075 -4.997) 9.109 22.761 ( -0.738 -8.730 2.229) 9.040 22.857 ( -2.024 -3.019 -1.433) 3.907 23.367 ( 1.817 -1.529 4.990) 5.526 23.480 ( -3.043 0.209 -2.119) 3.714 23.524 ( 0.159 -1.066 0.874) 1.388 23.624 ( -0.755 -0.084 -1.413) 1.604 23.685 ( 0.285 0.821 -4.745) 4.824 24.540 ( 21.803 14.948 -7.568) 27.497 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( 16.843 -9.154 9.402) 21.351 1.513 ( -7.521 -9.096 5.414) 12.985 1.710 ( 5.349 -14.399 2.164) 15.513 2.040 ( -1.068 -12.694 0.207) 12.741 2.244 ( 2.035 -14.136 13.534) 19.676 2.365 ( 1.412 -5.034 3.426) 6.251 2.488 ( -3.271 -8.824 -7.525) 12.050 2.661 ( -3.070 -8.539 -1.971) 9.285 2.709 ( -4.425 -5.073 1.481) 6.893 2.762 ( -0.591 -5.123 -6.466) 8.271 2.951 ( -0.525 -3.616 -3.316) 4.935 3.069 ( -5.441 0.765 -6.532) 8.536 3.161 ( 4.498 -0.814 9.668) 10.694 3.224 ( -1.367 1.142 -1.626) 2.412 3.283 ( -5.274 0.635 -4.069) 6.692 3.409 ( 0.781 -1.764 -2.567) 3.211 3.549 ( 2.037 -1.017 1.831) 2.922 3.760 ( 8.161 -1.393 0.539) 8.297 3.831 ( -1.142 -5.415 5.284) 7.652 4.053 ( 3.477 3.042 1.907) 4.998 4.167 ( 4.583 2.530 -0.278) 5.243 4.278 ( 0.953 -3.819 3.643) 5.364 4.426 ( -10.459 -0.900 -5.903) 12.044 4.687 ( 4.248 -1.075 -3.307) 5.489 4.900 ( 5.801 -0.705 -1.162) 5.958 5.008 ( 0.851 4.099 0.122) 4.188 5.109 ( -4.351 1.526 -0.945) 4.707 5.135 ( -1.889 -2.287 2.490) 3.873 5.302 ( -1.097 3.506 2.361) 4.366 5.318 ( -3.787 0.020 1.224) 3.979 5.449 ( -6.335 0.009 1.650) 6.546 5.563 ( 5.061 0.816 -5.047) 7.194 5.771 ( 2.263 8.132 -2.949) 8.941 5.863 ( 0.395 6.627 -0.416) 6.652 5.923 ( 1.626 -1.817 0.858) 2.585 5.936 ( 3.549 -3.271 -3.042) 5.705 6.183 ( 1.050 1.974 -2.748) 3.543 6.429 ( -5.381 -2.161 -1.322) 5.947 6.678 ( -2.634 -1.120 1.907) 3.439 6.955 ( 6.104 7.283 0.955) 9.550 7.425 ( -2.110 0.662 0.701) 2.320 7.608 ( 4.757 1.174 1.586) 5.150 7.728 ( 1.984 6.976 -1.688) 7.446 7.797 ( 0.292 1.366 -2.685) 3.027 7.939 ( -0.428 4.094 -2.362) 4.746 8.013 ( -2.084 -5.606 -0.900) 6.048 8.146 ( -4.665 1.235 1.159) 4.963 8.312 ( -1.498 1.806 4.227) 4.834 8.733 ( -11.164 -4.615 1.443) 12.166 9.175 ( -3.993 0.778 1.015) 4.193 9.508 ( 2.461 -0.029 3.150) 3.998 9.603 ( -3.217 -0.449 3.713) 4.933 9.673 ( 7.776 2.670 4.301) 9.279 10.157 ( -0.002 -3.174 -2.877) 4.284 10.396 ( 4.427 -6.005 -0.506) 7.477 10.480 ( 4.858 -0.386 0.077) 4.874 10.608 ( 0.264 -2.491 -14.642) 14.855 10.650 ( -4.965 -6.060 1.174) 7.921 10.718 ( 0.384 0.344 -2.467) 2.520 11.011 ( 2.648 0.644 -0.690) 2.811 11.187 ( -0.333 -3.737 6.447) 7.459 11.420 ( -4.790 2.398 4.548) 7.027 11.509 ( -7.738 -3.122 7.372) 11.134 11.803 ( -3.844 -1.505 0.288) 4.138 12.003 ( 6.512 7.272 -0.379) 9.769 12.069 ( -0.010 5.191 0.634) 5.230 12.377 ( 0.822 3.279 2.202) 4.034 12.642 ( -0.160 0.428 -4.002) 4.028 12.886 ( -3.804 3.507 3.979) 6.527 12.967 ( -1.503 0.476 0.826) 1.780 13.020 ( 1.579 10.652 2.021) 10.957 13.278 ( -0.627 3.457 -5.507) 6.532 13.603 ( 2.174 -3.983 -5.120) 6.842 13.819 ( -5.651 -4.750 0.652) 7.410 14.265 ( -10.393 -3.938 1.749) 11.251 14.749 ( -13.594 -13.139 1.507) 18.965 16.067 ( 21.842 15.298 -1.999) 26.741 16.618 ( 8.454 3.291 1.211) 9.153 16.962 ( 0.518 -3.761 -5.657) 6.813 17.341 ( 3.785 -1.761 -2.711) 4.978 20.510 ( -3.812 3.257 3.573) 6.157 20.950 ( 4.264 1.122 -3.127) 5.406 21.152 ( -1.673 4.040 1.965) 4.794 21.275 ( 2.557 1.598 2.719) 4.060 21.501 ( -6.204 0.068 -0.012) 6.204 21.746 ( 7.037 3.667 11.441) 13.924 22.395 ( -6.544 -2.763 -2.001) 7.379 22.628 ( -9.391 -10.746 -8.332) 16.525 22.878 ( -4.746 -6.400 -0.740) 8.002 22.983 ( 1.214 -9.520 1.243) 9.677 23.404 ( -1.125 -0.069 -0.661) 1.306 23.464 ( 1.096 -1.143 -0.480) 1.654 23.556 ( -2.341 -1.693 0.895) 3.024 23.612 ( 0.697 0.301 0.438) 0.876 23.682 ( 2.533 -0.832 -1.344) 2.986 24.353 ( 14.906 18.336 -2.071) 23.721 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( -4.023 2.075 11.733) 12.576 1.689 ( 9.307 -7.928 4.490) 13.024 1.927 ( -0.066 -6.960 -1.652) 7.153 2.170 ( -2.059 -3.461 -0.518) 4.060 2.420 ( -5.154 -5.663 -8.187) 11.210 2.518 ( 7.051 -4.874 10.380) 13.462 2.639 ( 0.680 -6.923 0.249) 6.961 2.676 ( -2.295 -2.249 -4.353) 5.410 2.787 ( -3.682 -4.546 0.006) 5.850 2.853 ( 1.297 -0.765 -3.983) 4.258 2.920 ( -4.269 -0.230 -4.166) 5.970 3.047 ( -3.072 -6.129 -4.345) 8.117 3.103 ( -9.144 -1.288 -1.464) 9.350 3.234 ( 4.885 -0.021 0.690) 4.933 3.254 ( -1.823 -1.321 1.572) 2.746 3.442 ( -0.135 -1.159 -1.840) 2.178 3.718 ( 0.067 -5.764 7.519) 9.474 3.783 ( 3.343 -2.610 0.778) 4.312 3.959 ( 0.875 -1.748 -6.047) 6.355 4.112 ( 11.519 2.058 -0.946) 11.740 4.171 ( 6.095 0.769 5.138) 8.009 4.321 ( -2.915 2.775 6.989) 8.065 4.401 ( -2.212 -5.025 0.741) 5.540 4.691 ( 2.573 2.925 -4.085) 5.645 4.891 ( 1.362 -1.034 -6.404) 6.628 4.972 ( -3.450 1.669 0.016) 3.832 5.038 ( -4.477 0.708 -0.410) 4.551 5.115 ( 0.633 0.614 2.207) 2.376 5.229 ( -3.545 0.704 1.708) 3.997 5.391 ( 0.949 -1.894 2.774) 3.490 5.440 ( -7.992 -4.857 4.895) 10.556 5.594 ( 2.066 5.055 -3.580) 6.530 5.629 ( 9.390 2.629 -6.136) 11.521 5.739 ( 0.892 5.727 0.939) 5.872 5.981 ( 4.074 -1.759 2.135) 4.924 6.043 ( -2.435 -7.249 -3.970) 8.616 6.139 ( -2.611 0.102 -1.464) 2.995 6.396 ( -1.933 1.795 -0.122) 2.640 6.672 ( -2.351 0.740 2.577) 3.566 6.903 ( 6.011 4.442 1.032) 7.545 7.400 ( -2.309 -0.327 -0.444) 2.374 7.612 ( 3.149 3.761 0.515) 4.932 7.630 ( 4.552 4.090 0.010) 6.119 7.734 ( -2.725 5.156 2.293) 6.267 7.869 ( 1.541 -0.526 -6.302) 6.509 8.058 ( -5.358 -1.729 -0.258) 5.636 8.148 ( -0.111 -4.049 1.691) 4.389 8.237 ( -5.753 3.890 3.777) 7.906 8.788 ( -3.798 -5.039 2.315) 6.721 9.127 ( -2.367 0.533 -1.645) 2.931 9.505 ( 2.209 4.245 3.773) 6.094 9.585 ( -4.903 0.353 1.348) 5.097 9.717 ( 7.211 1.987 2.934) 8.035 10.174 ( -3.615 -0.976 -0.600) 3.792 10.513 ( 2.780 1.374 3.340) 4.557 10.534 ( 8.392 -2.374 -5.811) 10.480 10.611 ( 0.428 -6.416 -8.440) 10.611 10.672 ( -2.936 0.052 -1.753) 3.419 10.778 ( 4.138 -6.054 -4.836) 8.784 11.004 ( 2.865 1.939 -3.905) 5.217 11.207 ( -2.866 3.142 5.960) 7.322 11.390 ( -3.768 -1.568 3.737) 5.534 11.597 ( -6.813 -8.401 7.168) 12.976 11.793 ( -2.913 0.597 -1.576) 3.365 11.884 ( 1.465 5.988 2.522) 6.660 12.054 ( 4.341 1.001 2.540) 5.128 12.316 ( -2.871 2.310 0.248) 3.693 12.525 ( -6.367 7.398 -3.794) 10.472 12.751 ( -2.929 3.535 -4.075) 6.138 12.963 ( 12.418 2.588 7.485) 14.728 13.019 ( 3.283 1.345 -0.979) 3.681 13.222 ( -0.203 -0.847 -3.745) 3.845 13.668 ( 0.565 -2.871 -2.269) 3.703 13.860 ( -6.895 -4.862 -0.025) 8.436 14.276 ( -5.915 -3.911 2.416) 7.491 14.873 ( -11.510 -10.678 1.486) 15.771 15.957 ( 15.678 13.427 0.900) 20.661 16.598 ( 4.412 4.263 -1.188) 6.249 16.992 ( -2.558 -3.483 -1.949) 4.741 17.380 ( 3.093 -0.710 -2.862) 4.274 20.443 ( -3.051 2.753 3.312) 5.278 20.915 ( 3.014 3.398 -3.731) 5.878 21.104 ( -2.095 0.615 0.656) 2.280 21.279 ( 0.338 0.297 0.525) 0.691 21.519 ( 2.005 -2.829 0.786) 3.555 21.720 ( 2.480 7.697 7.437) 10.987 22.411 ( -3.946 -4.734 -1.249) 6.288 22.702 ( -5.616 -8.049 -5.190) 11.102 22.931 ( -3.767 -3.775 -2.063) 5.718 23.173 ( 1.669 -8.432 0.886) 8.641 23.384 ( -1.009 -0.032 -1.430) 1.751 23.497 ( 0.232 -1.117 0.496) 1.244 23.549 ( -1.817 -0.545 -1.340) 2.322 23.632 ( -0.277 -0.946 2.023) 2.250 23.727 ( 1.842 -1.500 0.702) 2.477 24.112 ( 9.003 17.618 0.103) 19.785 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -11.406 9.825 11.280) 18.812 1.770 ( 2.679 8.456 1.449) 8.988 1.969 ( 2.778 3.445 5.976) 7.436 2.261 ( 2.134 -6.919 0.768) 7.281 2.360 ( -1.979 5.009 -8.908) 10.409 2.558 ( -0.628 4.775 -5.276) 7.144 2.668 ( 3.491 5.104 -3.445) 7.078 2.718 ( -1.440 -1.931 0.580) 2.477 2.797 ( 0.650 1.540 1.675) 2.367 2.830 ( 0.414 -9.388 -4.620) 10.471 2.983 ( -5.836 -1.866 -2.766) 6.723 3.075 ( 0.250 -5.974 3.380) 6.868 3.152 ( -1.771 3.222 -2.651) 4.533 3.188 ( 1.203 -3.538 -1.825) 4.159 3.361 ( 2.500 -5.846 3.305) 7.165 3.506 ( 2.367 -3.142 -0.225) 3.940 3.717 ( -7.271 -0.333 7.444) 10.411 3.913 ( -0.346 -1.695 1.889) 2.562 3.988 ( 2.048 1.078 0.392) 2.347 4.072 ( 1.747 11.713 -3.501) 12.349 4.105 ( 5.927 0.106 -3.573) 6.921 4.325 ( 5.173 5.391 6.982) 10.226 4.434 ( -3.401 0.548 -1.659) 3.823 4.645 ( -1.194 -0.128 -0.653) 1.367 4.883 ( -0.128 2.150 -2.380) 3.209 4.908 ( 0.397 -2.045 -3.834) 4.363 5.033 ( -2.798 -2.590 2.143) 4.374 5.158 ( 0.344 -1.145 4.868) 5.013 5.294 ( -3.370 -7.401 0.102) 8.133 5.386 ( -4.482 0.766 -3.099) 5.503 5.444 ( 4.694 3.092 1.397) 5.792 5.523 ( 1.181 4.602 -1.089) 4.874 5.601 ( 0.288 -0.439 4.404) 4.436 5.763 ( 5.589 -2.289 -3.487) 6.974 6.039 ( 0.958 -2.608 -4.749) 5.502 6.106 ( -4.237 -4.274 -1.214) 6.139 6.173 ( -1.184 -4.630 3.837) 6.129 6.330 ( 0.134 4.169 0.493) 4.201 6.653 ( -2.499 -0.682 -0.160) 2.595 6.896 ( 4.673 2.130 0.199) 5.140 7.401 ( -1.031 -2.086 -0.998) 2.532 7.567 ( 1.041 2.392 -1.530) 3.024 7.622 ( -1.916 3.164 2.903) 4.702 7.652 ( 5.407 -0.357 -0.207) 5.423 7.911 ( -0.261 -5.617 -3.671) 6.715 8.062 ( -2.877 -2.048 2.831) 4.526 8.134 ( -4.259 2.818 0.419) 5.124 8.246 ( 0.787 -3.598 2.131) 4.255 8.831 ( -1.361 0.383 5.196) 5.385 9.127 ( -1.876 -3.812 -1.738) 4.590 9.449 ( 3.011 6.385 4.940) 8.616 9.526 ( -5.362 0.893 -1.658) 5.683 9.735 ( 4.144 2.748 1.152) 5.105 10.124 ( -5.941 1.005 -0.258) 6.031 10.465 ( 0.746 6.263 0.485) 6.326 10.573 ( 1.814 0.183 -6.925) 7.161 10.645 ( 6.473 1.416 1.051) 6.709 10.739 ( -0.680 -7.408 -1.567) 7.602 10.865 ( 6.060 0.261 -9.351) 11.146 10.961 ( -1.995 -0.188 1.220) 2.346 11.170 ( 0.697 0.822 -0.450) 1.168 11.436 ( -3.851 -4.475 4.720) 7.559 11.696 ( 3.534 5.780 -4.137) 7.938 11.735 ( -0.676 -5.716 2.276) 6.189 11.890 ( -7.933 -4.330 9.253) 12.934 12.109 ( 4.963 0.263 4.117) 6.454 12.262 ( -3.628 0.354 -0.063) 3.646 12.312 ( -5.219 5.595 -3.520) 8.422 12.699 ( -0.034 -0.722 -3.695) 3.765 12.963 ( 4.960 4.177 -2.268) 6.869 13.110 ( 12.546 -0.727 4.650) 13.400 13.244 ( 1.920 -1.215 -2.419) 3.319 13.694 ( -0.090 -1.088 -1.584) 1.924 13.870 ( -9.636 -3.819 -0.300) 10.370 14.340 ( -0.350 -3.667 3.675) 5.204 14.960 ( -9.778 -7.596 0.590) 12.396 15.845 ( 8.046 10.335 2.452) 13.325 16.537 ( 0.783 3.449 -2.250) 4.192 17.041 ( -2.516 -4.978 -1.334) 5.735 17.386 ( 2.683 0.819 -3.309) 4.338 20.399 ( -2.584 1.145 3.474) 4.479 20.864 ( 2.303 2.039 -3.550) 4.698 21.082 ( -1.538 0.657 1.178) 2.045 21.287 ( -0.199 -0.443 0.939) 1.057 21.526 ( 0.942 5.245 -2.409) 5.848 21.718 ( 2.257 -4.507 5.346) 7.347 22.467 ( -0.087 -3.195 -0.585) 3.249 22.777 ( -1.340 -5.062 -0.914) 5.316 22.933 ( -1.630 -0.518 -2.560) 3.079 23.278 ( 2.414 1.267 -0.255) 2.738 23.393 ( -1.558 -3.347 -0.970) 3.817 23.505 ( 0.183 0.122 0.530) 0.574 23.553 ( -0.772 -1.414 -0.756) 1.779 23.659 ( -1.945 -2.258 0.892) 3.110 23.751 ( -0.066 0.498 -0.031) 0.503 23.878 ( 2.572 12.334 1.411) 12.678 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( -14.306 12.938 15.081) 24.484 1.536 ( 1.642 18.878 10.106) 21.476 1.840 ( -1.825 15.792 3.792) 16.343 2.166 ( 3.196 13.325 -4.384) 14.387 2.355 ( 7.473 4.010 -0.743) 8.513 2.399 ( -4.099 3.095 -5.988) 7.889 2.564 ( 2.260 6.328 -4.179) 7.913 2.731 ( 3.981 2.544 -5.226) 7.044 2.799 ( -0.910 -3.644 0.403) 3.777 2.922 ( 0.926 0.355 2.914) 3.078 2.973 ( -1.175 2.003 1.804) 2.941 3.020 ( -1.540 2.966 -0.584) 3.392 3.189 ( 1.310 3.766 -1.825) 4.385 3.274 ( -0.948 -7.299 1.997) 7.627 3.408 ( 1.299 2.442 0.912) 2.913 3.588 ( 0.873 0.724 -1.900) 2.213 3.698 ( -6.156 0.511 10.339) 12.044 3.836 ( 1.975 2.420 -2.095) 3.762 3.903 ( -6.850 -0.392 -1.116) 6.951 4.008 ( 4.391 -0.961 -6.716) 8.081 4.119 ( -1.141 1.890 -4.742) 5.231 4.294 ( 4.027 4.647 1.419) 6.311 4.350 ( 2.346 4.752 3.993) 6.636 4.644 ( -1.310 -1.029 1.110) 2.002 4.839 ( -0.666 0.603 0.190) 0.919 4.997 ( 7.785 -3.696 -2.040) 8.856 5.093 ( -1.490 -3.317 3.277) 4.896 5.240 ( -0.018 -5.212 5.246) 7.395 5.278 ( -7.259 -0.775 0.879) 7.353 5.336 ( -2.813 3.315 -3.184) 5.389 5.455 ( -4.125 -0.598 -4.619) 6.222 5.479 ( 5.369 -0.967 -0.204) 5.460 5.624 ( -0.918 0.144 3.077) 3.214 5.841 ( 5.514 -1.913 -3.037) 6.579 6.039 ( -1.001 -1.533 -9.863) 10.031 6.137 ( -1.648 5.271 -3.254) 6.410 6.184 ( -1.973 -3.799 2.382) 4.898 6.379 ( 1.706 -5.905 9.548) 11.355 6.653 ( 0.108 -1.513 -5.004) 5.229 6.884 ( 1.219 1.637 -1.300) 2.419 7.455 ( -1.077 -3.054 0.694) 3.312 7.520 ( -0.033 -1.465 -2.272) 2.703 7.660 ( 1.535 -3.857 2.866) 5.045 7.720 ( 1.711 -4.076 -2.642) 5.150 7.977 ( -3.884 -1.280 0.146) 4.092 8.052 ( 0.603 0.634 -0.850) 1.220 8.130 ( 1.069 -1.797 1.922) 2.840 8.312 ( -0.519 -2.578 1.009) 2.817 8.840 ( 0.462 1.147 10.099) 10.175 9.207 ( -1.737 -6.091 0.489) 6.353 9.384 ( 4.880 5.418 2.344) 7.659 9.451 ( -7.297 0.959 -1.057) 7.436 9.685 ( -0.442 4.538 0.321) 4.571 10.075 ( -0.758 0.840 1.442) 1.833 10.345 ( -1.026 5.495 0.822) 5.650 10.512 ( 2.303 3.432 -7.453) 8.522 10.682 ( 2.500 1.892 2.060) 3.751 10.769 ( 3.245 4.278 -3.602) 6.466 10.858 ( -2.948 -4.685 -1.463) 5.725 10.979 ( -1.633 -1.063 -0.110) 1.952 11.188 ( 5.864 -1.421 -5.472) 8.145 11.507 ( -3.193 -3.344 2.236) 5.136 11.642 ( 4.939 2.780 -0.199) 5.671 11.811 ( -0.021 -3.267 -0.780) 3.359 11.969 ( -7.956 -5.625 8.539) 12.957 12.090 ( 0.268 4.119 -2.182) 4.669 12.164 ( -0.808 4.421 3.170) 5.500 12.389 ( 0.557 -11.389 4.089) 12.113 12.731 ( 2.029 -3.675 -3.043) 5.185 12.944 ( 1.060 0.183 0.706) 1.286 13.232 ( 9.472 1.667 1.508) 9.735 13.246 ( 4.342 0.690 -3.216) 5.447 13.692 ( 3.545 2.105 -2.380) 4.761 13.851 ( -10.659 -4.227 0.057) 11.467 14.414 ( 2.348 -0.520 3.814) 4.509 14.994 ( -6.239 -3.867 -1.531) 7.499 15.746 ( -1.300 4.999 4.034) 6.554 16.466 ( -1.598 2.618 -1.911) 3.614 17.106 ( -1.396 -4.816 -4.766) 6.918 17.362 ( 2.613 1.970 -4.277) 5.385 20.405 ( -2.308 -1.779 5.718) 6.418 20.844 ( 2.315 0.329 -3.597) 4.290 21.075 ( -0.236 0.219 3.625) 3.639 21.283 ( -1.227 0.963 -0.466) 1.628 21.411 ( 0.017 5.589 0.693) 5.632 21.891 ( -1.015 -10.585 -1.160) 10.697 22.510 ( 1.543 -0.821 0.015) 1.747 22.858 ( 2.421 -1.578 2.711) 3.963 22.923 ( 3.892 -0.074 -0.022) 3.892 23.185 ( 0.252 7.966 -1.195) 8.059 23.419 ( 4.314 1.285 -0.692) 4.554 23.512 ( 0.729 0.752 -1.298) 1.668 23.565 ( -1.471 -1.067 -0.382) 1.857 23.669 ( -4.648 0.526 -2.284) 5.206 23.705 ( -0.444 2.548 -0.517) 2.637 23.758 ( -5.148 -0.443 2.767) 5.861 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.905 ( -14.665 15.214 17.178) 27.233 1.272 ( 3.097 20.867 19.158) 28.496 1.474 ( 7.142 25.331 11.337) 28.657 1.852 ( 0.935 19.712 1.722) 19.809 2.177 ( -7.215 7.443 -6.405) 12.185 2.388 ( 0.177 9.889 -5.332) 11.237 2.402 ( 8.542 5.017 2.578) 10.237 2.632 ( 8.346 12.059 -4.796) 15.430 2.796 ( -1.543 8.846 1.945) 9.187 2.849 ( -3.835 12.819 1.944) 13.521 2.897 ( 0.316 0.605 0.813) 1.061 3.013 ( 0.908 -6.143 -0.107) 6.211 3.106 ( 0.479 0.102 2.430) 2.479 3.322 ( -1.745 1.876 -1.310) 2.877 3.390 ( -0.540 -3.270 -1.777) 3.761 3.620 ( 2.407 -4.665 -1.437) 5.443 3.699 ( -2.737 2.706 -1.162) 4.020 3.768 ( -7.576 -0.297 -1.483) 7.725 3.911 ( -4.971 -4.912 -1.558) 7.160 3.987 ( -3.977 3.587 -4.529) 7.014 4.082 ( 7.200 -2.243 -5.155) 9.135 4.227 ( 1.758 3.410 -1.583) 4.150 4.371 ( 5.327 2.879 9.149) 10.971 4.699 ( -1.263 -5.273 1.495) 5.625 4.862 ( 3.765 -0.186 1.948) 4.243 5.058 ( 4.589 4.573 -2.145) 6.824 5.162 ( -9.642 2.170 -0.780) 9.914 5.201 ( 1.204 -5.100 5.877) 7.874 5.269 ( -4.769 -2.521 -3.824) 6.612 5.375 ( -0.201 -5.293 0.580) 5.328 5.480 ( 0.661 -7.341 -2.823) 7.892 5.532 ( 2.978 0.300 -0.524) 3.039 5.639 ( 0.642 -3.154 -0.189) 3.224 5.886 ( 5.931 2.036 -2.668) 6.815 5.934 ( -4.007 7.971 -1.017) 8.979 6.008 ( -0.383 -1.329 -7.606) 7.731 6.245 ( -4.089 -2.203 -0.486) 4.670 6.578 ( 4.142 -7.044 8.809) 12.016 6.654 ( 2.247 -0.853 -8.530) 8.862 6.850 ( 0.349 1.723 -1.165) 2.108 7.465 ( -0.223 -0.417 0.198) 0.512 7.608 ( -0.693 -5.057 -1.933) 5.459 7.745 ( -1.463 -2.842 -0.840) 3.305 7.797 ( 1.264 -5.619 -3.010) 6.498 7.960 ( -1.274 -1.258 1.325) 2.227 8.004 ( 1.457 6.139 -0.180) 6.312 8.176 ( 1.535 -0.365 2.225) 2.728 8.335 ( -2.943 -0.892 -0.847) 3.190 8.922 ( -0.062 -2.109 14.202) 14.358 9.299 ( -4.826 -5.572 3.250) 8.056 9.353 ( -0.476 3.043 1.243) 3.321 9.408 ( 1.040 -3.099 -1.182) 3.476 9.597 ( -1.185 4.411 3.201) 5.577 10.093 ( 5.112 0.351 1.529) 5.348 10.277 ( -1.292 1.576 0.438) 2.085 10.411 ( 1.141 5.633 -5.049) 7.650 10.609 ( 2.474 6.305 -0.032) 6.773 10.740 ( 5.739 0.586 -7.102) 9.150 10.895 ( -8.498 -3.473 3.663) 9.884 10.969 ( -0.218 -0.100 -2.818) 2.828 11.242 ( 4.119 -1.816 -4.246) 6.188 11.546 ( -3.063 -3.453 0.522) 4.645 11.616 ( -1.441 2.879 0.064) 3.220 11.843 ( -0.200 0.236 -1.743) 1.770 12.011 ( -7.127 0.909 2.879) 7.740 12.064 ( 2.684 -3.394 4.833) 6.487 12.144 ( -0.300 -1.196 2.896) 3.148 12.697 ( 0.576 -15.986 7.730) 17.766 12.825 ( 2.807 -5.506 -3.467) 7.086 12.968 ( -1.495 -1.980 4.194) 4.873 13.168 ( -4.150 2.788 -2.682) 5.673 13.309 ( 9.439 1.428 -0.907) 9.590 13.648 ( 10.055 6.265 -1.272) 11.915 13.868 ( -7.346 -5.718 -0.983) 9.361 14.425 ( 1.624 3.528 5.109) 6.417 14.994 ( 0.309 -0.907 -5.397) 5.482 15.678 ( -9.035 0.675 5.648) 10.677 16.401 ( 0.152 2.411 -1.899) 3.072 17.106 ( -0.850 0.608 -11.956) 12.002 17.309 ( 2.506 3.411 -5.520) 6.956 20.496 ( -2.910 -6.117 9.533) 11.695 20.845 ( 3.294 0.183 -3.734) 4.983 21.130 ( 0.562 -3.593 7.357) 8.207 21.216 ( -2.178 3.084 -1.764) 4.167 21.357 ( 1.548 3.094 5.531) 6.524 22.018 ( -10.968 -9.847 -8.397) 16.964 22.521 ( -0.331 0.275 0.052) 0.434 22.866 ( 1.651 1.269 -0.939) 2.285 22.938 ( -3.654 6.655 0.741) 7.628 23.144 ( 13.495 -0.155 8.517) 15.958 23.353 ( -9.832 11.315 -9.728) 17.869 23.487 ( 7.914 -1.348 2.434) 8.389 23.566 ( 0.277 -0.868 0.201) 0.933 23.583 ( 4.987 1.050 -2.092) 5.509 23.669 ( -0.170 0.887 -0.098) 0.908 23.795 ( -4.023 -4.399 0.721) 6.004 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 0.226 0.000 -9.806) 9.809 1.279 ( 8.007 0.000 9.154) 12.162 1.357 ( 20.773 0.000 8.368) 22.395 1.626 ( -2.238 -0.000 0.601) 2.317 1.700 ( -13.442 -0.000 16.058) 20.942 2.266 ( -3.825 -0.000 -4.731) 6.083 2.307 ( 11.689 0.000 2.188) 11.892 2.477 ( -3.476 -0.000 0.487) 3.510 2.623 ( -5.214 -0.000 -4.669) 6.999 2.668 ( 8.349 0.000 12.946) 15.405 2.730 ( 9.257 0.000 -4.541) 10.311 3.041 ( -2.892 -0.000 8.090) 8.592 3.116 ( -8.467 -0.000 -6.841) 10.886 3.208 ( 2.932 0.000 -1.544) 3.314 3.397 ( -1.802 -0.000 -5.582) 5.866 3.504 ( -6.943 -0.000 -2.543) 7.394 3.618 ( 6.019 0.000 6.373) 8.766 3.725 ( -1.301 -0.000 -4.850) 5.022 3.780 ( -4.113 -0.000 1.609) 4.416 4.070 ( 3.046 0.000 3.859) 4.916 4.119 ( 4.684 0.000 -2.878) 5.497 4.293 ( 0.323 0.000 3.774) 3.788 4.398 ( -10.504 -0.000 -8.524) 13.528 4.571 ( 1.721 0.000 7.256) 7.458 4.929 ( 4.613 0.000 -3.331) 5.690 5.033 ( 8.933 0.000 -1.037) 8.993 5.100 ( 2.968 0.000 -3.013) 4.229 5.167 ( -4.778 -0.000 -2.940) 5.610 5.345 ( -9.180 -0.000 -0.813) 9.216 5.347 ( -4.512 -0.000 4.328) 6.252 5.464 ( -2.768 -0.000 0.275) 2.782 5.658 ( 5.124 0.000 -1.256) 5.276 5.792 ( -2.683 -0.000 1.773) 3.216 5.966 ( 7.485 0.000 0.612) 7.510 6.006 ( 2.751 0.000 -2.168) 3.502 6.127 ( 4.235 0.000 3.254) 5.341 6.134 ( -8.800 -0.000 -7.475) 11.546 6.373 ( -2.374 -0.000 4.888) 5.434 6.590 ( -2.044 -0.000 -2.384) 3.140 7.207 ( 7.966 0.000 -8.989) 12.010 7.456 ( 0.698 0.000 0.612) 0.929 7.613 ( 1.037 0.000 -2.779) 2.966 7.681 ( 4.292 0.000 0.162) 4.295 7.888 ( -3.406 -0.000 0.156) 3.410 7.948 ( 2.437 0.000 -3.126) 3.964 8.002 ( -0.244 -0.000 0.447) 0.509 8.185 ( -2.753 -0.000 -2.718) 3.869 8.304 ( 2.486 0.000 4.350) 5.011 8.740 ( -21.358 -0.000 5.784) 22.127 9.083 ( -8.971 -0.000 2.154) 9.226 9.493 ( -1.491 -0.000 3.579) 3.877 9.628 ( 1.150 0.000 3.144) 3.348 9.740 ( 7.922 0.000 6.481) 10.236 9.964 ( -1.331 -0.000 -4.087) 4.298 10.271 ( -4.083 -0.000 1.058) 4.218 10.405 ( 4.784 0.000 1.412) 4.988 10.522 ( 0.241 0.000 -2.315) 2.328 10.609 ( 1.841 0.000 -9.491) 9.668 10.718 ( -7.616 -0.000 2.196) 7.926 11.031 ( -2.750 -0.000 9.580) 9.966 11.076 ( 2.518 0.000 4.734) 5.362 11.450 ( 2.552 0.000 4.488) 5.163 11.546 ( -1.158 -0.000 0.363) 1.214 11.756 ( -4.683 -0.000 -2.169) 5.161 12.129 ( 3.767 0.000 4.810) 6.109 12.353 ( 7.191 0.000 1.130) 7.279 12.405 ( 5.441 0.000 1.302) 5.594 12.590 ( -12.580 -0.000 -1.775) 12.704 12.810 ( 3.442 0.000 -3.710) 5.061 13.109 ( -7.906 -0.000 0.142) 7.907 13.297 ( 8.351 0.000 0.785) 8.388 13.355 ( 5.950 0.000 -7.980) 9.954 13.659 ( -14.653 -0.000 -9.302) 17.357 13.725 ( -6.086 -0.000 3.929) 7.244 14.186 ( -14.668 -0.000 9.770) 17.624 14.265 ( -13.317 -0.000 -2.171) 13.493 16.594 ( 29.747 0.000 -18.400) 34.978 16.685 ( 7.171 0.000 6.408) 9.617 16.742 ( 6.811 0.000 2.151) 7.142 17.297 ( 4.535 0.000 -2.596) 5.225 20.576 ( -4.319 -0.000 0.130) 4.321 20.952 ( 5.725 0.000 -1.181) 5.845 21.336 ( -2.849 -0.000 3.159) 4.254 21.396 ( -3.139 -0.000 2.551) 4.045 21.499 ( -7.138 -0.000 6.264) 9.497 21.751 ( 6.511 0.000 10.211) 12.110 22.135 ( -5.093 -0.000 -0.712) 5.142 22.585 ( -2.212 -0.000 0.304) 2.233 22.589 ( -8.480 -0.000 -4.567) 9.632 22.811 ( 0.731 0.000 -0.526) 0.900 23.393 ( 1.575 0.000 3.918) 4.223 23.442 ( -2.021 -0.000 -4.011) 4.491 23.519 ( -0.551 -0.000 1.662) 1.751 23.612 ( -0.584 -0.000 -0.837) 1.021 23.682 ( 2.867 0.000 -3.096) 4.220 24.785 ( 14.731 0.000 -9.877) 17.736 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -4.743 -12.109 -9.361) 16.024 1.403 ( 9.304 -8.097 11.843) 17.099 1.658 ( 11.588 -8.001 4.212) 14.698 1.734 ( 0.127 -10.136 1.664) 10.273 1.942 ( -3.092 -20.979 10.303) 23.576 2.232 ( -3.624 -3.751 -11.116) 12.279 2.399 ( 6.790 -2.482 0.216) 7.233 2.531 ( -1.199 -4.972 4.763) 6.989 2.590 ( -6.429 -4.316 -3.346) 8.435 2.680 ( -3.658 1.134 4.987) 6.288 2.856 ( 1.989 -4.052 -4.355) 6.272 3.005 ( -6.305 1.207 -5.022) 8.150 3.116 ( 3.262 -4.032 -7.084) 8.779 3.256 ( -3.572 4.306 -2.649) 6.190 3.282 ( 3.318 0.451 15.438) 15.798 3.503 ( -2.262 -2.313 0.486) 3.271 3.586 ( 0.510 8.148 -2.509) 8.541 3.738 ( 3.584 -4.394 6.522) 8.642 3.801 ( 2.629 -0.793 0.650) 2.821 4.080 ( 0.007 -0.185 -9.514) 9.516 4.163 ( 0.120 -6.705 -3.674) 7.647 4.285 ( 3.190 2.167 7.457) 8.395 4.339 ( -2.628 0.757 -0.011) 2.735 4.665 ( 1.126 -2.932 1.833) 3.637 4.953 ( 5.997 -0.714 -2.155) 6.412 5.068 ( -1.598 1.220 -1.769) 2.678 5.090 ( 0.725 -0.756 -0.345) 1.103 5.138 ( 2.291 0.583 -1.883) 3.022 5.229 ( -10.293 2.670 -2.476) 10.918 5.353 ( -1.279 -0.305 5.378) 5.536 5.424 ( -4.080 2.294 2.694) 5.401 5.648 ( 1.575 4.886 -1.306) 5.297 5.780 ( 0.863 -3.088 -0.183) 3.212 5.939 ( -2.944 6.458 -7.116) 10.050 5.991 ( 3.543 2.112 1.606) 4.426 6.016 ( 3.104 3.736 -0.790) 4.921 6.220 ( 2.752 -0.543 -0.488) 2.847 6.337 ( -4.138 0.102 3.766) 5.596 6.614 ( -1.510 -3.276 -0.262) 3.616 7.139 ( 5.864 6.936 -5.493) 10.614 7.461 ( 0.943 1.621 3.572) 4.034 7.645 ( 3.713 -2.403 -1.151) 4.570 7.758 ( 3.297 -3.139 -2.567) 5.227 7.820 ( -1.195 3.329 -1.394) 3.801 7.972 ( -0.248 2.420 -0.004) 2.433 7.979 ( 0.061 -0.314 -0.535) 0.623 8.128 ( -3.748 1.200 -0.548) 3.973 8.347 ( 0.115 -0.096 3.133) 3.136 8.577 ( -15.626 -0.020 3.736) 16.067 9.098 ( -6.211 -5.211 1.236) 8.201 9.492 ( -0.473 -1.529 -3.912) 4.227 9.626 ( -1.503 2.720 7.437) 8.060 9.824 ( 7.992 1.865 5.746) 10.019 10.042 ( 2.088 -9.194 -6.408) 11.400 10.265 ( -4.681 -3.182 -1.285) 5.804 10.455 ( -1.998 -3.388 0.054) 3.934 10.521 ( 0.370 -0.446 -2.453) 2.521 10.594 ( 5.529 -0.407 -7.579) 9.390 10.680 ( -4.578 -1.283 0.561) 4.788 11.053 ( -0.347 0.820 5.654) 5.724 11.158 ( 0.786 -3.343 8.970) 9.605 11.469 ( 0.827 2.672 4.549) 5.340 11.509 ( -2.818 3.212 1.111) 4.415 11.718 ( -5.435 -2.348 -2.609) 6.469 12.149 ( 4.758 3.108 2.269) 6.119 12.250 ( 5.169 10.942 -1.365) 12.178 12.422 ( -3.054 2.197 -1.392) 4.012 12.613 ( 0.339 -4.709 2.300) 5.252 12.875 ( 3.771 -4.836 -2.623) 6.670 12.972 ( -6.715 5.634 1.448) 8.884 13.268 ( -0.537 11.656 1.919) 11.825 13.324 ( 1.071 4.624 -8.107) 9.394 13.503 ( 1.999 -4.582 -7.275) 8.826 13.715 ( -6.376 -1.879 3.763) 7.639 14.108 ( -10.557 -3.185 2.085) 11.222 14.368 ( -13.176 -15.339 1.991) 20.319 16.525 ( 19.779 14.380 -3.734) 24.738 16.773 ( 8.002 3.239 4.737) 9.847 16.874 ( 2.770 -4.008 -3.674) 6.102 17.332 ( 3.900 -1.176 -2.548) 4.804 20.533 ( -3.412 1.326 0.807) 3.748 20.985 ( 4.622 0.754 -1.950) 5.073 21.259 ( -2.746 5.896 2.339) 6.912 21.338 ( -1.003 2.794 0.351) 2.989 21.462 ( -3.524 0.521 1.202) 3.760 21.909 ( 8.065 -1.984 14.497) 16.707 22.225 ( -6.399 -9.018 -0.208) 11.060 22.374 ( -10.553 1.495 -7.995) 13.324 22.696 ( -3.899 -8.268 -1.280) 9.230 22.873 ( 2.329 -4.827 1.135) 5.478 23.395 ( -0.407 0.551 -2.825) 2.906 23.443 ( 0.749 -1.693 0.074) 1.853 23.525 ( -1.504 -0.384 1.537) 2.185 23.610 ( -0.349 -0.529 0.122) 0.646 23.704 ( 4.067 0.155 0.760) 4.141 24.729 ( 10.946 11.690 -6.412) 17.250 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.441 ( -3.541 -16.666 3.565) 17.407 1.701 ( 3.925 -10.138 7.073) 12.970 1.833 ( 7.726 0.980 3.045) 8.362 2.003 ( 2.752 -14.445 -1.357) 14.767 2.161 ( -6.599 -7.857 -14.258) 17.566 2.395 ( -1.353 -16.262 0.143) 16.319 2.519 ( -0.612 -6.054 1.303) 6.222 2.582 ( 0.376 -4.087 -0.493) 4.134 2.668 ( -4.705 -7.874 2.475) 9.501 2.745 ( 0.691 -6.239 6.631) 9.131 2.866 ( -2.831 0.304 -5.165) 5.898 2.932 ( -2.557 -0.845 -0.934) 2.850 3.061 ( -1.438 2.251 -13.337) 13.602 3.207 ( -1.918 -2.099 -0.455) 2.879 3.312 ( -1.672 6.374 10.584) 12.467 3.466 ( 3.399 2.365 3.211) 5.240 3.658 ( 2.499 -8.282 6.320) 10.713 3.769 ( -1.745 -0.727 -1.277) 2.281 3.850 ( -1.009 -2.566 -5.393) 6.057 4.184 ( 7.073 -1.126 -5.034) 8.754 4.231 ( 5.103 -6.055 -2.163) 8.208 4.315 ( 0.348 0.944 2.117) 2.344 4.355 ( 1.865 -2.496 8.207) 8.779 4.702 ( 4.536 -2.874 -8.258) 9.850 4.919 ( -1.995 7.201 -2.468) 7.870 5.011 ( -3.006 1.386 3.425) 4.763 5.042 ( -5.941 6.166 0.774) 8.597 5.141 ( 1.037 -0.415 0.241) 1.142 5.212 ( -2.012 -7.938 -2.127) 8.461 5.323 ( -3.766 4.093 8.430) 10.099 5.376 ( -3.342 0.108 4.413) 5.537 5.648 ( 9.417 -1.692 -3.823) 10.303 5.734 ( 0.345 7.701 -4.735) 9.047 5.845 ( 0.307 -0.009 -4.650) 4.660 5.952 ( 1.429 2.808 -0.025) 3.151 6.018 ( 3.179 -0.203 4.624) 5.615 6.164 ( -1.721 5.116 -0.018) 5.398 6.366 ( -2.634 -2.807 1.439) 4.110 6.651 ( -2.583 -1.873 0.865) 3.305 7.037 ( 4.070 5.872 -2.952) 7.730 7.425 ( -1.315 3.912 3.525) 5.428 7.719 ( 3.609 -0.963 -0.476) 3.765 7.746 ( 4.952 4.946 0.329) 7.007 7.773 ( 0.721 2.064 -2.768) 3.527 7.904 ( -1.434 5.624 -1.514) 5.998 7.974 ( -0.371 -2.720 -0.923) 2.896 8.090 ( -4.950 -0.794 2.979) 5.831 8.294 ( -4.958 4.529 3.720) 7.676 8.613 ( -4.666 -9.890 2.523) 11.223 9.124 ( -2.059 -0.779 -1.133) 2.476 9.494 ( -2.731 -2.639 -6.861) 7.841 9.604 ( -1.327 2.627 7.838) 8.372 9.866 ( 7.408 3.439 3.767) 8.994 10.154 ( 0.791 -0.611 0.354) 1.060 10.331 ( -3.172 -12.109 -10.557) 16.375 10.497 ( 2.181 -2.780 -5.695) 6.702 10.537 ( -2.357 -4.393 -2.054) 5.392 10.627 ( 2.413 -0.703 1.277) 2.819 10.718 ( 4.542 -4.019 -3.710) 7.110 11.048 ( -0.122 1.984 1.627) 2.569 11.278 ( 0.578 -0.783 10.114) 10.161 11.411 ( -2.634 2.540 1.060) 3.810 11.429 ( -9.398 -0.439 6.070) 11.196 11.722 ( -2.471 -2.693 -2.704) 4.546 12.080 ( 2.260 9.924 1.683) 10.317 12.142 ( 6.335 3.443 -0.999) 7.279 12.335 ( -2.747 3.091 -1.992) 4.590 12.613 ( -1.909 5.447 -0.745) 5.820 12.794 ( -4.532 6.427 -2.703) 8.316 13.021 ( 4.583 -3.174 1.080) 5.678 13.100 ( 0.771 -0.089 1.467) 1.660 13.245 ( 5.732 4.812 -4.460) 8.712 13.598 ( 1.867 -4.177 -2.475) 5.202 13.721 ( -7.215 -3.004 2.503) 8.206 14.136 ( -6.686 -6.219 2.467) 9.459 14.554 ( -10.193 -13.979 0.982) 17.328 16.390 ( 16.793 16.498 0.381) 23.544 16.743 ( 4.202 6.563 0.989) 7.856 16.909 ( -2.829 -2.169 0.299) 3.577 17.371 ( 2.983 -1.281 -2.743) 4.250 20.479 ( -2.864 2.264 1.415) 3.915 20.977 ( 3.680 2.320 -4.002) 5.911 21.142 ( -2.509 4.539 1.985) 5.554 21.290 ( -0.556 1.339 -0.505) 1.535 21.479 ( 0.109 -2.932 -0.066) 2.934 21.943 ( 0.600 10.825 5.280) 12.059 22.243 ( -4.175 -8.538 -1.704) 9.655 22.461 ( -3.670 -11.502 1.115) 12.125 22.803 ( -1.991 -6.381 -1.242) 6.799 23.021 ( 1.011 -8.689 0.885) 8.792 23.371 ( -0.011 0.111 -3.199) 3.201 23.482 ( 0.605 -1.576 0.347) 1.723 23.522 ( -1.607 -0.213 0.510) 1.699 23.621 ( -0.532 -0.639 0.342) 0.899 23.745 ( 2.753 0.034 3.106) 4.151 24.505 ( 7.365 17.324 -3.624) 19.170 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -8.706 3.472 8.617) 12.732 1.895 ( 0.981 -3.844 0.599) 4.012 1.923 ( 3.523 -6.378 4.711) 8.677 2.115 ( -1.603 -6.141 -3.819) 7.408 2.316 ( 5.187 -7.905 -2.778) 9.855 2.486 ( -4.113 -4.839 -14.868) 16.167 2.615 ( -3.824 -5.900 -0.952) 7.095 2.696 ( -0.112 -5.081 -3.252) 6.034 2.756 ( 1.757 1.743 -1.912) 3.128 2.856 ( 0.055 -2.710 -1.396) 3.049 2.888 ( 2.008 -0.668 5.833) 6.205 2.954 ( -0.937 -4.970 1.927) 5.412 3.034 ( -0.650 -7.776 4.599) 9.058 3.200 ( -2.679 1.213 -2.289) 3.727 3.328 ( 5.310 -4.215 1.141) 6.875 3.479 ( -0.092 0.678 6.396) 6.433 3.716 ( -4.129 0.428 1.510) 4.417 3.842 ( -3.323 -3.803 -6.234) 8.023 3.963 ( 7.253 -7.737 9.129) 13.993 4.107 ( -0.344 2.543 -7.192) 7.636 4.238 ( -1.918 5.776 -5.879) 8.462 4.377 ( -1.006 -2.938 -4.099) 5.143 4.460 ( 3.574 0.250 7.349) 8.176 4.702 ( 1.737 7.013 0.361) 7.234 4.837 ( 2.812 -4.101 -10.708) 11.806 4.908 ( -1.924 0.989 1.334) 2.541 5.016 ( 0.157 0.073 2.755) 2.760 5.178 ( -2.399 -3.107 5.724) 6.941 5.207 ( 1.523 2.126 2.408) 3.554 5.303 ( -9.367 -1.467 4.239) 10.386 5.460 ( 0.575 -3.676 4.846) 6.110 5.622 ( 3.230 4.049 -1.296) 5.339 5.718 ( 2.704 9.058 -4.291) 10.381 5.751 ( 7.594 -2.126 -4.542) 9.101 5.953 ( -2.414 -1.748 -3.923) 4.927 6.064 ( -2.526 2.175 0.955) 3.467 6.114 ( 2.786 -3.972 7.117) 8.613 6.380 ( -1.477 0.216 0.456) 1.561 6.635 ( -3.206 0.908 0.081) 3.333 6.959 ( 1.098 3.327 -3.380) 4.868 7.381 ( -0.652 0.622 1.289) 1.572 7.657 ( 1.342 5.398 -1.257) 5.703 7.687 ( 0.439 5.094 -0.073) 5.113 7.758 ( 4.708 4.738 2.410) 7.101 7.822 ( -1.117 -0.628 -2.142) 2.497 8.002 ( -1.024 -3.252 1.445) 3.703 8.140 ( -2.318 -2.239 -0.175) 3.227 8.195 ( -3.506 1.068 3.799) 5.279 8.791 ( -0.699 -7.332 6.761) 9.998 9.100 ( 0.466 0.858 -1.221) 1.563 9.460 ( -5.208 -0.889 -5.662) 7.744 9.581 ( 1.426 3.478 4.874) 6.155 9.837 ( 1.255 4.811 -0.972) 5.066 10.135 ( -1.918 1.932 5.298) 5.956 10.448 ( -0.850 -6.128 -9.956) 11.721 10.543 ( -0.146 -2.930 -5.979) 6.660 10.608 ( 5.119 -3.700 -5.587) 8.432 10.686 ( 4.156 -2.935 0.735) 5.141 10.843 ( 6.999 -4.082 -2.949) 8.622 10.991 ( -2.412 2.876 1.805) 4.165 11.227 ( -0.815 5.435 2.367) 5.984 11.367 ( -3.750 -0.390 3.916) 5.436 11.537 ( -8.888 -11.901 6.546) 16.232 11.731 ( -0.225 -0.967 -3.284) 3.430 11.941 ( 0.905 8.058 4.988) 9.520 12.145 ( 2.970 -0.724 -1.172) 3.274 12.247 ( -2.111 3.237 -1.771) 4.251 12.429 ( -2.472 9.223 -0.451) 9.559 12.686 ( -0.105 1.435 -3.409) 3.700 13.029 ( 0.118 2.284 -4.468) 5.019 13.206 ( 3.079 -4.024 0.330) 5.078 13.242 ( 8.866 0.984 2.668) 9.310 13.662 ( 2.272 -2.559 -0.883) 3.534 13.717 ( -8.935 -2.739 1.484) 9.463 14.246 ( -2.430 -7.114 4.805) 8.922 14.713 ( -6.510 -10.727 -0.611) 12.562 16.189 ( 7.272 16.791 2.368) 18.451 16.643 ( 3.343 6.839 -2.176) 7.917 16.941 ( -2.441 -3.420 2.019) 4.662 17.394 ( 2.279 -0.397 -3.150) 3.908 20.422 ( -2.511 2.040 1.889) 3.746 20.920 ( 2.688 3.717 -4.305) 6.291 21.093 ( -1.124 0.700 2.266) 2.625 21.279 ( -0.251 -0.161 0.640) 0.706 21.537 ( 0.183 -3.553 -4.381) 5.644 21.743 ( -4.665 7.289 -0.312) 8.660 22.389 ( 1.371 -6.136 2.646) 6.821 22.655 ( 1.168 -8.814 5.077) 10.238 22.877 ( -0.131 -3.443 -1.641) 3.816 23.204 ( 0.142 -9.715 0.355) 9.722 23.350 ( -0.034 0.901 -2.441) 2.603 23.508 ( 0.056 0.069 1.399) 1.402 23.522 ( -0.415 -1.458 -0.629) 1.641 23.625 ( -1.150 -0.539 -0.305) 1.306 23.769 ( 0.527 0.701 2.304) 2.466 24.198 ( 2.802 18.195 -2.369) 18.562 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( -8.112 10.253 10.812) 16.965 1.870 ( 2.374 8.827 7.158) 11.610 1.980 ( -5.579 1.587 -0.568) 5.828 2.228 ( 0.894 -4.515 -1.568) 4.862 2.399 ( 2.350 -0.228 -4.648) 5.213 2.447 ( 3.333 2.949 -3.805) 5.855 2.649 ( 1.244 0.544 -5.185) 5.360 2.696 ( -3.510 -2.612 -1.245) 4.549 2.830 ( 1.409 3.113 2.133) 4.028 2.865 ( 6.174 -4.968 -1.882) 8.145 2.897 ( 3.088 -3.437 -4.933) 6.759 3.111 ( 0.163 -5.872 4.249) 7.250 3.182 ( -0.976 0.921 5.992) 6.140 3.190 ( 0.243 -4.332 3.243) 5.417 3.452 ( 2.749 0.920 2.467) 3.807 3.517 ( 0.316 -6.815 -2.806) 7.377 3.665 ( -6.320 1.564 3.355) 7.324 3.840 ( -2.097 -0.981 -4.031) 4.648 3.963 ( -3.905 6.508 -1.625) 7.762 4.021 ( -0.520 3.844 -8.785) 9.604 4.196 ( 0.471 5.398 3.173) 6.279 4.323 ( 1.119 -1.596 -5.024) 5.388 4.453 ( -0.523 2.940 4.731) 5.594 4.660 ( 1.472 0.968 2.921) 3.411 4.828 ( 0.395 -1.779 -3.013) 3.521 4.989 ( 6.336 -1.994 0.566) 6.667 5.049 ( -1.284 -1.910 3.794) 4.437 5.213 ( 3.181 -1.935 2.349) 4.402 5.245 ( -7.549 1.465 5.065) 9.208 5.284 ( -1.424 -3.543 -4.631) 6.003 5.495 ( -0.885 6.289 -1.412) 6.506 5.526 ( 2.606 1.303 0.739) 3.006 5.623 ( -2.706 1.259 3.855) 4.876 5.824 ( 3.602 -1.472 -3.109) 4.981 5.930 ( -0.453 -2.387 -7.889) 8.255 6.066 ( -0.093 -2.153 0.215) 2.166 6.251 ( 2.067 -1.253 3.193) 4.005 6.353 ( 0.051 -0.606 4.435) 4.476 6.599 ( -1.374 -0.472 -3.077) 3.402 6.890 ( -2.067 1.474 -4.546) 5.207 7.400 ( 1.175 -2.010 0.497) 2.380 7.561 ( 0.273 4.685 0.360) 4.706 7.629 ( -0.797 -0.431 -0.989) 1.342 7.707 ( -0.862 2.445 0.463) 2.633 7.898 ( 3.290 -5.075 1.561) 6.246 8.062 ( -3.738 2.429 -0.727) 4.516 8.102 ( 3.006 -3.887 2.891) 5.701 8.251 ( -1.891 -3.295 0.540) 3.837 8.904 ( -1.711 -1.072 10.896) 11.082 9.128 ( 2.234 -3.118 0.854) 3.930 9.388 ( -4.509 1.217 -3.935) 6.108 9.539 ( 1.370 5.218 2.581) 5.981 9.732 ( -3.404 2.748 -2.748) 5.166 10.139 ( 3.423 1.506 6.647) 7.627 10.432 ( -2.015 2.893 -3.976) 5.314 10.510 ( 0.158 0.887 -7.862) 7.914 10.660 ( 0.415 -1.979 -3.136) 3.732 10.801 ( 8.012 -2.352 -8.359) 11.815 10.854 ( 1.122 2.198 0.933) 2.638 10.992 ( -0.175 1.049 6.217) 6.307 11.158 ( -0.033 -0.284 -3.123) 3.136 11.427 ( -0.427 -4.532 0.899) 4.639 11.699 ( -4.873 -7.630 2.836) 9.487 11.732 ( 1.227 -1.450 -1.227) 2.262 11.852 ( -4.102 2.927 5.157) 7.210 12.154 ( -3.701 2.343 -2.717) 5.155 12.207 ( -0.307 -0.538 2.728) 2.798 12.309 ( 4.563 1.112 2.247) 5.206 12.681 ( 1.398 -1.749 -2.655) 3.473 12.965 ( 0.519 1.379 -3.283) 3.599 13.234 ( -3.733 0.440 -0.540) 3.797 13.326 ( 3.717 -0.949 1.847) 4.257 13.688 ( -6.515 -2.443 -1.033) 7.034 13.754 ( 8.483 -1.408 0.998) 8.657 14.379 ( -2.325 -5.564 5.927) 8.455 14.837 ( -1.157 -7.171 -2.525) 7.690 15.941 ( -2.187 13.222 3.283) 13.798 16.536 ( 2.574 5.548 -3.110) 6.862 17.009 ( 0.620 -3.658 -0.308) 3.723 17.389 ( 1.991 0.932 -3.676) 4.283 20.395 ( -2.245 -0.004 3.696) 4.324 20.866 ( 2.266 1.824 -3.428) 4.495 21.100 ( 0.632 0.186 3.195) 3.262 21.279 ( -1.084 0.172 -0.118) 1.104 21.506 ( 0.153 4.126 -3.377) 5.334 21.681 ( -6.053 -5.885 -2.818) 8.900 22.494 ( 0.659 -2.616 2.345) 3.574 22.850 ( 3.830 -4.850 6.489) 8.961 22.928 ( 3.967 -2.643 0.164) 4.770 23.298 ( -0.223 3.436 -1.702) 3.841 23.364 ( 0.618 -6.835 -0.295) 6.870 23.509 ( 0.036 0.103 0.525) 0.536 23.547 ( 0.487 -0.940 -0.732) 1.287 23.619 ( -1.823 -0.644 -1.335) 2.349 23.746 ( -0.981 2.092 0.053) 2.311 23.888 ( -1.388 13.894 -0.986) 13.998 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.193 ( -3.091 13.827 12.244) 18.726 1.695 ( -1.156 13.866 8.832) 16.480 1.896 ( 3.725 8.310 9.940) 13.481 2.098 ( -4.606 12.486 -4.677) 14.106 2.329 ( 1.577 10.715 0.652) 10.850 2.437 ( -1.452 -0.580 -1.262) 2.009 2.589 ( 8.298 4.461 -2.068) 9.646 2.765 ( 3.968 -3.016 -5.317) 7.288 2.813 ( 1.997 -1.096 1.297) 2.621 2.944 ( 1.283 -0.029 1.085) 1.680 2.963 ( 0.636 1.687 -2.475) 3.062 3.084 ( 1.327 10.940 6.937) 13.022 3.194 ( 0.740 4.000 -0.169) 4.072 3.269 ( -3.279 -6.440 0.144) 7.228 3.396 ( -0.675 3.072 -0.287) 3.158 3.584 ( -9.847 -0.415 -3.723) 10.535 3.603 ( 2.003 -0.959 -2.146) 3.088 3.766 ( -2.234 5.270 -5.173) 7.715 3.852 ( -0.429 0.180 6.278) 6.295 3.985 ( -4.056 1.615 -5.040) 6.668 4.063 ( 4.173 -0.567 -5.225) 6.711 4.290 ( -2.252 3.476 0.445) 4.165 4.497 ( 3.585 0.273 7.877) 8.659 4.658 ( 0.710 0.729 0.941) 1.386 4.899 ( 7.153 -3.021 -1.913) 7.997 5.057 ( -7.316 -2.166 1.908) 7.865 5.096 ( 4.983 -2.082 -0.895) 5.474 5.180 ( -5.331 0.169 -0.982) 5.424 5.246 ( -4.066 0.782 0.024) 4.140 5.308 ( 2.816 1.597 0.200) 3.243 5.394 ( 0.863 -2.733 2.702) 3.939 5.553 ( 1.909 0.761 1.757) 2.703 5.615 ( -0.660 -1.131 -0.435) 1.380 5.838 ( -2.391 -2.772 -3.313) 4.937 5.938 ( 1.062 -1.220 -6.718) 6.910 6.103 ( 1.856 2.916 -4.130) 5.386 6.176 ( -0.217 2.377 0.079) 2.389 6.515 ( 2.079 -7.027 9.261) 11.810 6.590 ( -0.078 -1.963 -8.126) 8.360 6.837 ( -2.704 -0.462 -2.072) 3.438 7.475 ( 1.560 -2.094 2.022) 3.302 7.520 ( 0.992 -0.867 -0.477) 1.401 7.639 ( -3.782 -3.147 -4.251) 6.502 7.723 ( 0.149 -3.849 2.656) 4.679 7.941 ( -0.355 0.466 -1.639) 1.740 8.062 ( 2.054 -0.980 0.400) 2.311 8.187 ( 1.181 -0.894 3.340) 3.654 8.276 ( -2.904 -2.353 -0.587) 3.783 8.946 ( -6.234 -0.750 10.852) 12.538 9.225 ( 1.602 -2.427 2.206) 3.650 9.321 ( -3.016 -0.484 0.287) 3.068 9.466 ( 2.961 3.134 -0.348) 4.326 9.671 ( -1.227 2.417 1.958) 3.343 10.191 ( 7.592 1.691 4.886) 9.185 10.318 ( -2.115 4.550 -0.983) 5.113 10.452 ( 0.096 1.149 -6.242) 6.348 10.670 ( 2.373 -0.594 -5.551) 6.066 10.781 ( 3.167 2.351 -6.059) 7.230 10.838 ( -3.466 2.751 5.085) 6.741 10.979 ( 2.853 1.059 -2.702) 4.070 11.208 ( 1.604 -3.333 -2.768) 4.620 11.467 ( -2.953 -1.529 0.700) 3.399 11.702 ( -0.407 5.683 1.023) 5.789 11.791 ( -0.126 -3.687 -0.842) 3.784 11.873 ( -8.262 -7.359 4.243) 11.850 12.080 ( -1.781 0.973 -0.886) 2.214 12.184 ( 2.049 2.115 4.001) 4.968 12.500 ( 4.361 -10.909 6.013) 13.198 12.737 ( 1.244 -4.178 -2.217) 4.890 12.959 ( 0.308 -0.300 0.919) 1.014 13.141 ( -10.727 1.348 -0.725) 10.836 13.348 ( -1.015 -0.372 -0.732) 1.305 13.673 ( -3.193 -1.103 -2.050) 3.952 13.852 ( 10.158 0.767 -0.442) 10.197 14.450 ( -5.134 -1.922 5.518) 7.779 14.937 ( 5.070 -3.375 -3.911) 7.238 15.731 ( -5.308 6.634 3.619) 9.235 16.463 ( 3.985 3.270 -2.656) 5.799 17.057 ( 2.169 -1.237 -5.483) 6.025 17.357 ( 2.187 2.201 -4.076) 5.122 20.431 ( -2.493 -3.155 6.529) 7.668 20.858 ( 3.291 -0.159 -2.546) 4.164 21.130 ( 1.297 -0.670 4.107) 4.359 21.236 ( -2.129 2.365 -2.252) 3.899 21.449 ( 2.099 2.024 3.593) 4.627 21.731 ( -8.893 -7.386 -5.941) 12.997 22.520 ( -1.754 0.170 1.395) 2.247 22.896 ( 1.482 0.972 -0.873) 1.976 23.033 ( 0.462 2.347 4.326) 4.943 23.240 ( 2.025 2.195 0.468) 3.023 23.462 ( -1.095 7.280 -2.354) 7.729 23.475 ( -0.162 -5.072 -1.013) 5.175 23.547 ( 2.349 0.190 1.638) 2.870 23.606 ( 1.148 -1.052 -1.577) 2.217 23.701 ( 0.509 2.254 -1.318) 2.660 23.731 ( 1.256 -0.618 0.497) 1.485 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.998 ( 2.655 0.000 -15.175) 15.405 1.316 ( -0.964 -0.000 -3.554) 3.682 1.589 ( -10.147 -0.000 14.484) 17.685 1.685 ( 0.532 0.000 -0.933) 1.074 1.890 ( 18.225 0.000 10.401) 20.984 2.138 ( 2.843 0.000 -9.163) 9.594 2.415 ( 3.395 0.000 -5.748) 6.675 2.423 ( -3.007 -0.000 -4.602) 5.497 2.579 ( -4.150 -0.000 16.027) 16.555 2.621 ( -12.598 -0.000 -1.215) 12.657 2.807 ( -0.516 -0.000 -3.615) 3.652 3.034 ( 7.259 0.000 0.168) 7.261 3.060 ( 2.572 0.000 -9.813) 10.145 3.306 ( -1.216 -0.000 -1.126) 1.657 3.352 ( -8.043 -0.000 -2.725) 8.492 3.397 ( 2.083 0.000 17.659) 17.781 3.654 ( -0.949 -0.000 -1.085) 1.441 3.749 ( -4.073 -0.000 2.525) 4.792 3.903 ( 15.144 0.000 3.472) 15.537 3.959 ( -4.248 -0.000 -10.218) 11.066 4.088 ( 3.499 0.000 -7.085) 7.902 4.277 ( -3.706 -0.000 -0.014) 3.706 4.424 ( 2.440 0.000 6.581) 7.019 4.636 ( -4.783 -0.000 3.844) 6.137 4.945 ( 4.326 0.000 -5.135) 6.714 5.033 ( -4.133 -0.000 -3.966) 5.728 5.092 ( 0.271 0.000 -5.431) 5.438 5.120 ( 2.258 0.000 -0.043) 2.258 5.268 ( 1.433 0.000 5.099) 5.297 5.351 ( -4.067 -0.000 8.923) 9.807 5.465 ( -0.853 -0.000 5.094) 5.165 5.707 ( 2.215 0.000 -1.595) 2.729 5.738 ( -3.135 -0.000 -2.121) 3.785 5.918 ( -5.866 -0.000 -1.984) 6.192 6.044 ( 1.326 0.000 -2.188) 2.558 6.065 ( 3.638 0.000 1.099) 3.800 6.241 ( 6.376 0.000 -0.094) 6.376 6.368 ( -4.078 -0.000 3.929) 5.663 6.567 ( 0.431 0.000 -1.422) 1.486 7.207 ( 4.720 0.000 -10.026) 11.082 7.517 ( 2.621 0.000 4.666) 5.352 7.626 ( 3.216 0.000 -1.370) 3.496 7.723 ( -1.038 -0.000 -0.385) 1.107 7.888 ( 4.380 0.000 0.636) 4.426 7.927 ( -3.557 -0.000 0.378) 3.577 8.009 ( 3.716 0.000 -3.292) 4.964 8.118 ( -3.096 -0.000 -0.589) 3.151 8.349 ( -1.567 -0.000 3.089) 3.463 8.492 ( -14.281 -0.000 5.754) 15.396 8.980 ( -5.017 -0.000 -0.068) 5.017 9.434 ( -2.569 -0.000 -7.666) 8.085 9.698 ( -0.726 -0.000 9.580) 9.607 9.891 ( 0.504 0.000 -9.023) 9.037 9.926 ( 6.211 0.000 4.019) 7.398 10.224 ( -0.657 -0.000 -1.322) 1.476 10.365 ( -9.478 -0.000 2.412) 9.780 10.557 ( 7.868 0.000 -4.429) 9.029 10.586 ( 3.711 0.000 -5.993) 7.049 10.626 ( -5.699 -0.000 1.637) 5.930 11.089 ( -2.486 -0.000 9.771) 10.082 11.172 ( 1.551 0.000 2.382) 2.842 11.518 ( -3.126 -0.000 2.686) 4.122 11.551 ( 0.531 0.000 1.245) 1.354 11.636 ( -1.426 -0.000 -1.930) 2.400 12.225 ( 3.665 0.000 0.695) 3.730 12.404 ( -5.090 -0.000 0.909) 5.170 12.479 ( 4.639 0.000 -3.793) 5.992 12.501 ( 4.230 0.000 2.667) 5.000 12.834 ( 0.471 0.000 0.644) 0.798 12.984 ( -5.510 -0.000 -1.710) 5.770 13.360 ( 5.657 0.000 -8.630) 10.319 13.364 ( -8.345 -0.000 -5.577) 10.037 13.467 ( 9.962 0.000 -0.045) 9.962 13.672 ( -4.937 -0.000 4.414) 6.622 14.027 ( -12.830 -0.000 0.246) 12.833 14.083 ( -7.316 -0.000 4.301) 8.486 16.802 ( 2.252 0.000 4.260) 4.818 16.843 ( 17.582 0.000 -7.240) 19.015 16.892 ( 2.488 0.000 5.895) 6.399 17.338 ( 3.360 0.000 -2.421) 4.141 20.520 ( -2.406 -0.000 -0.256) 2.419 21.028 ( 4.480 0.000 -1.580) 4.751 21.289 ( -4.148 -0.000 0.008) 4.148 21.342 ( -3.259 -0.000 -0.655) 3.324 21.460 ( -1.650 -0.000 -1.660) 2.341 21.957 ( 1.371 0.000 5.392) 5.564 22.117 ( -2.347 -0.000 9.503) 9.789 22.328 ( -6.660 -0.000 -5.932) 8.919 22.563 ( -1.140 -0.000 0.630) 1.302 22.850 ( 1.615 0.000 0.489) 1.688 23.378 ( 0.347 0.000 -5.392) 5.403 23.428 ( -0.115 -0.000 0.164) 0.200 23.527 ( -0.747 -0.000 2.457) 2.568 23.602 ( -0.295 -0.000 0.474) 0.559 23.753 ( 3.484 0.000 4.354) 5.577 24.881 ( 8.124 0.000 -7.136) 10.813 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.084 ( 1.514 -15.096 -8.117) 17.207 1.546 ( -1.219 -14.995 5.186) 15.913 1.621 ( -3.101 -13.416 0.334) 13.774 1.832 ( -3.198 -13.478 -8.937) 16.485 2.059 ( 10.301 1.616 5.016) 11.571 2.164 ( -0.492 -3.984 -2.025) 4.496 2.427 ( -2.147 -5.564 -4.862) 7.695 2.466 ( -4.591 -7.838 -1.461) 9.200 2.487 ( -3.207 1.173 -1.100) 3.588 2.695 ( 0.296 -4.633 12.405) 13.245 2.810 ( -0.635 -2.337 -2.384) 3.398 2.980 ( -0.424 2.893 -7.588) 8.132 3.058 ( 5.999 4.587 -3.339) 8.257 3.196 ( -1.955 2.209 1.315) 3.230 3.447 ( -4.544 -6.938 4.647) 9.506 3.502 ( -0.354 -1.360 9.424) 9.528 3.580 ( 1.549 6.859 -0.140) 7.033 3.711 ( -4.847 -1.361 -3.573) 6.174 3.859 ( 5.466 1.548 2.609) 6.252 4.108 ( 0.715 -3.102 -7.629) 8.267 4.156 ( 9.014 -8.730 -5.048) 13.526 4.262 ( -3.263 -2.238 -2.006) 4.437 4.436 ( -0.097 1.468 6.099) 6.274 4.609 ( -5.850 -2.726 -3.993) 7.589 4.977 ( -0.903 1.837 -4.091) 4.575 4.988 ( 0.299 -2.341 -3.683) 4.374 5.052 ( 0.438 2.350 1.017) 2.598 5.139 ( 0.571 2.113 3.328) 3.983 5.256 ( 3.075 3.770 6.183) 7.867 5.371 ( -5.101 1.068 5.817) 7.810 5.456 ( 1.176 3.255 9.529) 10.138 5.677 ( 4.325 0.114 -3.472) 5.548 5.768 ( -0.338 -3.579 -3.112) 4.755 5.835 ( 0.100 4.509 -1.741) 4.835 6.035 ( 0.901 2.199 -0.919) 2.548 6.066 ( 1.739 1.643 2.290) 3.312 6.262 ( -1.110 4.537 2.389) 5.247 6.321 ( -0.782 -0.016 1.453) 1.650 6.588 ( -1.025 -2.490 -1.497) 3.081 7.143 ( 3.383 4.840 -8.130) 10.048 7.525 ( -0.945 4.203 5.514) 6.998 7.673 ( 1.928 -2.896 -0.620) 3.534 7.751 ( 1.417 -3.513 -2.559) 4.571 7.874 ( 2.502 2.710 0.027) 3.689 7.934 ( 0.207 0.248 0.658) 0.733 8.017 ( 3.009 2.846 -1.418) 4.378 8.066 ( -4.377 1.396 1.719) 4.906 8.342 ( -3.652 2.217 2.657) 5.031 8.443 ( -4.694 -4.826 6.341) 9.248 9.013 ( -3.656 -6.288 -2.504) 7.693 9.379 ( -2.405 -1.952 -10.554) 10.999 9.705 ( -0.504 3.608 9.644) 10.309 9.960 ( -0.134 -2.478 -3.866) 4.594 9.988 ( 4.430 -9.399 -7.906) 13.056 10.196 ( -1.315 1.572 0.884) 2.232 10.360 ( -5.060 -5.085 -0.061) 7.173 10.536 ( 1.957 2.058 -2.082) 3.521 10.608 ( -1.972 -1.224 -0.541) 2.383 10.665 ( 6.962 -4.393 -3.398) 8.906 11.089 ( -2.682 2.244 3.192) 4.735 11.207 ( -5.211 -4.802 1.897) 7.336 11.464 ( -1.740 4.371 5.508) 7.244 11.515 ( -1.008 4.832 4.125) 6.433 11.660 ( 1.735 -1.715 -1.358) 2.792 12.213 ( 1.705 3.007 -2.745) 4.414 12.314 ( -0.037 8.882 3.983) 9.734 12.382 ( 3.692 4.374 -3.659) 6.793 12.616 ( -3.336 -2.955 -0.128) 4.459 12.866 ( -1.500 6.016 -4.228) 7.504 12.938 ( 0.279 -8.639 2.083) 8.891 13.169 ( -1.415 9.784 -3.384) 10.449 13.351 ( 5.766 2.301 -5.479) 8.280 13.552 ( 4.941 -1.700 0.197) 5.229 13.669 ( -3.715 -0.502 4.542) 5.889 13.984 ( -5.674 -5.380 2.458) 8.196 14.218 ( -6.468 -14.293 0.804) 15.709 16.791 ( 12.165 10.318 2.690) 16.177 16.850 ( -3.395 2.162 1.431) 4.272 16.916 ( 3.640 3.510 3.076) 5.919 17.359 ( 2.428 -0.847 -2.521) 3.601 20.492 ( -1.980 1.047 -0.148) 2.244 21.029 ( 3.478 1.898 -2.785) 4.843 21.203 ( -3.726 4.026 -1.319) 5.642 21.323 ( -0.452 1.031 0.215) 1.146 21.413 ( -2.661 -0.355 -3.534) 4.438 21.976 ( -10.897 -3.663 -12.721) 17.146 22.206 ( 5.098 1.966 13.403) 14.474 22.284 ( 1.611 -5.800 8.558) 10.464 22.658 ( -0.288 -7.580 0.125) 7.587 22.901 ( 0.035 -4.650 -0.170) 4.653 23.354 ( 0.944 0.044 -4.656) 4.751 23.441 ( -0.632 -2.033 -1.722) 2.738 23.529 ( -0.418 0.616 2.591) 2.696 23.610 ( -0.167 -0.447 0.743) 0.883 23.798 ( 1.520 0.794 6.609) 6.828 24.803 ( 5.963 10.807 -5.869) 13.667 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -4.135 -17.553 0.558) 18.042 1.691 ( -5.793 -7.687 1.853) 9.802 1.933 ( 1.611 -4.985 0.440) 5.258 1.977 ( 1.147 -9.246 -3.061) 9.806 2.112 ( -3.607 -13.526 -8.404) 16.327 2.269 ( -0.202 -8.437 -0.141) 8.441 2.444 ( -5.156 -3.193 -9.940) 11.644 2.522 ( 1.250 -5.953 -0.933) 6.154 2.685 ( 0.277 -14.038 2.102) 14.197 2.807 ( 2.232 -1.448 -0.681) 2.747 2.928 ( 2.922 -7.505 6.918) 10.617 2.934 ( 3.198 3.092 -6.105) 7.554 2.967 ( 3.044 1.814 5.540) 6.576 3.197 ( 1.297 0.069 -0.786) 1.518 3.412 ( 1.366 8.367 9.492) 12.726 3.524 ( -2.246 0.074 3.294) 3.987 3.593 ( -5.555 -7.851 -3.530) 10.245 3.736 ( 0.023 -3.175 -2.130) 3.823 3.961 ( 5.125 -4.650 6.723) 9.648 4.091 ( -0.580 0.353 -6.866) 6.899 4.234 ( -3.609 2.112 -7.399) 8.499 4.265 ( -2.455 -4.642 -5.802) 7.825 4.471 ( -5.062 -1.996 5.280) 7.582 4.680 ( 5.216 -9.198 -8.323) 13.456 4.858 ( 1.629 7.426 -3.196) 8.247 4.966 ( 0.187 2.886 1.221) 3.139 5.032 ( 1.420 2.046 -1.647) 2.986 5.128 ( -1.995 -1.344 7.739) 8.104 5.269 ( 0.446 1.787 5.888) 6.169 5.291 ( -4.816 2.987 3.040) 6.431 5.503 ( 2.649 1.408 11.698) 12.076 5.684 ( 1.701 0.708 -5.642) 5.936 5.781 ( 0.537 2.340 -3.717) 4.425 5.818 ( 8.940 0.356 -0.691) 8.974 5.963 ( 0.400 4.233 0.129) 4.254 6.069 ( -4.592 1.443 3.882) 6.184 6.179 ( 2.863 1.725 4.359) 5.493 6.339 ( -2.092 -1.312 0.802) 2.597 6.608 ( -1.628 -1.365 -1.675) 2.705 7.014 ( -0.732 5.611 -7.188) 9.148 7.433 ( -1.994 4.424 3.553) 6.014 7.737 ( 0.895 3.663 -2.602) 4.582 7.764 ( 1.357 -1.929 -0.188) 2.366 7.823 ( -1.666 5.106 0.705) 5.417 7.927 ( 5.485 4.784 1.295) 7.392 7.969 ( 1.310 0.295 -0.284) 1.373 8.049 ( -3.049 -3.772 3.877) 6.209 8.247 ( -3.830 4.803 1.763) 6.391 8.656 ( 2.099 -11.291 9.018) 14.602 9.071 ( -1.469 -3.566 -3.297) 5.073 9.352 ( -2.369 -2.836 -9.557) 10.247 9.679 ( 0.654 3.508 6.775) 7.657 9.886 ( -7.170 3.715 -3.803) 8.926 10.191 ( 0.426 0.204 6.261) 6.279 10.224 ( 7.810 -12.572 -14.891) 20.996 10.424 ( -1.357 -5.270 -4.364) 6.976 10.546 ( 4.686 -3.209 -4.139) 7.027 10.634 ( -1.680 -3.543 0.370) 3.938 10.804 ( 5.633 -5.103 -1.391) 7.727 11.019 ( -3.001 1.539 -0.575) 3.421 11.267 ( -9.194 -4.437 2.923) 10.619 11.402 ( 0.964 4.179 8.030) 9.104 11.419 ( -2.603 5.561 4.618) 7.683 11.699 ( 1.595 -1.383 -0.941) 2.311 12.133 ( -0.027 4.076 -2.634) 4.853 12.158 ( -1.233 8.134 1.741) 8.409 12.312 ( 2.433 4.375 -2.685) 5.681 12.561 ( -1.571 5.290 -0.827) 5.580 12.723 ( 0.205 5.002 -4.018) 6.420 13.006 ( -4.293 0.714 -5.468) 6.988 13.135 ( 3.264 -5.241 2.455) 6.644 13.330 ( 3.484 2.107 -1.322) 4.281 13.603 ( -1.697 -1.785 1.141) 2.714 13.695 ( 3.541 -1.353 3.704) 5.300 14.110 ( -1.502 -7.981 4.699) 9.382 14.451 ( -1.255 -13.779 -1.094) 13.880 16.559 ( -1.941 17.452 1.999) 17.673 16.813 ( 4.441 8.713 1.279) 9.863 16.902 ( 0.762 -1.723 4.663) 5.030 17.380 ( 1.588 -1.042 -3.007) 3.556 20.446 ( -2.131 1.904 0.382) 2.883 20.993 ( 3.792 3.770 -5.283) 7.517 21.107 ( -2.807 1.561 1.145) 3.411 21.300 ( 0.431 1.497 1.320) 2.042 21.411 ( -3.606 -4.213 -5.449) 7.775 21.800 ( -7.585 4.682 -9.696) 13.171 22.336 ( 4.103 -3.646 9.116) 10.641 22.535 ( 4.133 -10.759 10.152) 15.359 22.788 ( 1.264 -5.877 -0.827) 6.068 23.019 ( -1.441 -8.699 -0.360) 8.825 23.346 ( 1.347 -0.313 -3.324) 3.601 23.469 ( -0.746 -2.742 -2.741) 3.948 23.529 ( 0.241 0.680 2.604) 2.702 23.615 ( -0.279 0.055 0.457) 0.538 23.812 ( -0.664 1.769 5.918) 6.212 24.537 ( 2.022 17.787 -4.977) 18.580 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( -7.019 1.294 6.343) 9.549 1.784 ( -8.327 -9.462 -2.508) 12.851 2.010 ( -0.360 -0.418 0.681) 0.877 2.147 ( 0.320 -6.261 -1.054) 6.357 2.260 ( -1.558 -10.613 -4.444) 11.611 2.444 ( 0.734 -6.069 3.078) 6.844 2.475 ( -0.015 -10.899 -7.779) 13.390 2.670 ( 4.223 -5.550 0.162) 6.976 2.789 ( 5.645 1.524 -11.735) 13.111 2.826 ( 3.344 -0.706 -1.947) 3.933 2.989 ( 2.417 -5.554 5.240) 8.010 3.066 ( 3.923 -2.252 4.887) 6.659 3.119 ( -0.301 -3.497 4.588) 5.777 3.162 ( 0.737 -0.731 4.016) 4.148 3.414 ( 0.507 -1.832 3.838) 4.283 3.524 ( 0.575 0.262 1.826) 1.933 3.638 ( -3.167 -1.707 -1.844) 4.043 3.773 ( 0.580 -2.822 -2.236) 3.647 3.998 ( -1.907 2.027 -3.767) 4.684 4.050 ( -4.732 6.807 -9.039) 12.265 4.202 ( -0.391 -10.406 2.923) 10.816 4.243 ( -5.028 0.998 -5.851) 7.779 4.467 ( -4.561 -0.655 3.898) 6.036 4.696 ( 0.621 2.418 -2.720) 3.692 4.911 ( 10.815 4.826 1.658) 11.958 4.964 ( 5.139 -7.346 -0.193) 8.967 5.004 ( -0.825 -1.103 -2.460) 2.820 5.149 ( -6.563 0.011 5.518) 8.574 5.252 ( -5.215 0.393 6.120) 8.050 5.292 ( 4.136 0.183 1.409) 4.373 5.517 ( -1.743 0.584 4.904) 5.237 5.633 ( 0.235 8.527 -2.329) 8.843 5.659 ( -0.724 1.320 -4.350) 4.604 5.856 ( -5.689 4.863 -0.194) 7.487 5.901 ( 8.836 -0.172 -0.301) 8.843 6.065 ( 1.515 -1.376 1.634) 2.618 6.263 ( 4.306 -0.458 7.685) 8.821 6.346 ( -0.998 -1.977 0.015) 2.215 6.586 ( -1.057 1.069 -2.302) 2.749 6.872 ( -3.837 2.909 -7.158) 8.627 7.405 ( 1.441 0.452 2.214) 2.680 7.639 ( -0.200 4.517 -3.267) 5.578 7.688 ( -1.160 7.047 1.627) 7.325 7.722 ( -6.032 2.167 0.742) 6.452 7.934 ( 7.957 1.277 1.742) 8.245 8.055 ( 2.650 -4.502 4.193) 6.699 8.087 ( -1.666 1.973 -1.493) 2.983 8.186 ( -1.259 -1.953 1.724) 2.893 8.873 ( -3.197 -5.242 9.298) 11.142 9.108 ( 2.044 -2.420 0.177) 3.173 9.353 ( 0.869 -2.212 -4.206) 4.831 9.643 ( -2.736 5.527 2.657) 6.716 9.714 ( -6.213 2.171 -4.040) 7.723 10.221 ( 2.146 0.712 6.053) 6.461 10.351 ( 3.429 -3.771 -10.976) 12.102 10.472 ( -0.668 -2.799 -5.826) 6.498 10.658 ( 4.853 -1.830 -1.687) 5.454 10.730 ( 6.444 -7.141 -9.347) 13.412 10.859 ( -1.660 -1.042 -1.649) 2.561 11.046 ( 2.030 -0.800 8.244) 8.527 11.182 ( -5.795 4.861 0.041) 7.564 11.362 ( 1.260 -1.775 -0.523) 2.238 11.484 ( -5.719 -7.938 7.930) 12.594 11.717 ( 0.850 0.053 -0.761) 1.143 12.000 ( -0.534 8.564 4.604) 9.738 12.085 ( -4.091 -1.286 -4.370) 6.122 12.247 ( 1.108 2.634 0.272) 2.871 12.454 ( 5.784 6.696 0.659) 8.873 12.658 ( 0.659 0.511 -4.341) 4.421 12.933 ( -3.530 -0.395 -7.199) 8.027 13.201 ( -5.754 -0.038 2.239) 6.175 13.316 ( -1.870 -0.312 1.193) 2.240 13.629 ( 0.896 -1.534 0.362) 1.813 13.813 ( 9.852 -2.400 2.512) 10.447 14.264 ( -2.757 -7.029 5.795) 9.518 14.685 ( 5.517 -10.414 -1.821) 11.925 16.195 ( -9.051 17.117 2.504) 19.524 16.668 ( 0.237 8.006 -0.474) 8.024 16.987 ( 5.090 -1.602 2.749) 6.003 17.389 ( 1.223 -0.427 -3.495) 3.728 20.403 ( -2.243 1.106 2.037) 3.225 20.910 ( 1.951 3.468 -5.362) 6.677 21.118 ( 0.971 -0.943 3.244) 3.515 21.281 ( -1.310 0.689 -0.231) 1.498 21.443 ( -2.281 -4.423 -4.540) 6.736 21.628 ( -4.177 3.725 -4.562) 7.220 22.462 ( 0.848 -3.116 5.362) 6.260 22.812 ( 5.351 -7.731 8.769) 12.856 22.892 ( 3.798 -4.620 -1.123) 6.085 23.172 ( -2.336 -9.064 -1.359) 9.459 23.353 ( 2.393 -0.167 -1.269) 2.714 23.492 ( -1.033 -2.081 -3.051) 3.835 23.541 ( 1.468 0.011 1.976) 2.461 23.609 ( -0.312 0.523 0.235) 0.652 23.782 ( -2.208 2.685 3.110) 4.664 24.164 ( -2.586 18.462 -3.854) 19.036 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.431 ( -1.710 6.318 9.851) 11.827 1.845 ( -6.775 3.650 -2.262) 8.022 1.920 ( -1.342 -4.733 -0.730) 4.973 2.288 ( 1.060 2.512 6.311) 6.875 2.339 ( -2.442 -4.053 0.774) 4.795 2.477 ( -1.235 2.567 2.338) 3.685 2.656 ( 4.185 -7.084 -6.181) 10.291 2.692 ( 7.329 2.052 -3.110) 8.222 2.838 ( -0.247 -1.206 -1.900) 2.264 2.938 ( 4.964 -6.931 -1.446) 8.647 2.986 ( 7.377 2.848 -0.900) 7.958 3.153 ( -3.130 -1.176 -0.891) 3.461 3.185 ( 0.728 -3.077 3.558) 4.760 3.249 ( -2.401 -0.735 5.759) 6.283 3.378 ( -6.846 2.458 -1.044) 7.348 3.547 ( -0.799 4.618 -3.821) 6.047 3.620 ( 6.792 -2.996 0.767) 7.463 3.812 ( 0.931 1.094 -3.600) 3.876 3.904 ( -0.493 1.364 2.327) 2.742 3.945 ( -0.873 0.722 -3.768) 3.935 4.092 ( -3.469 4.883 -5.177) 7.917 4.294 ( -8.219 -2.351 1.121) 8.622 4.526 ( 2.758 -2.589 5.161) 6.399 4.683 ( -0.792 0.472 1.003) 1.362 4.900 ( 8.519 1.667 -1.226) 8.767 5.002 ( -1.695 -0.169 -0.863) 1.910 5.112 ( -3.955 -0.326 2.373) 4.624 5.147 ( 3.743 -1.935 -4.000) 5.810 5.219 ( -5.890 1.396 5.679) 8.300 5.324 ( 4.862 -3.926 1.975) 6.554 5.453 ( -2.137 6.583 -2.265) 7.283 5.564 ( -1.396 -2.177 2.244) 3.424 5.617 ( 0.653 2.572 0.537) 2.708 5.743 ( -6.119 0.085 -1.887) 6.404 5.938 ( 3.345 1.280 -1.631) 3.936 6.105 ( 4.519 0.059 -1.046) 4.639 6.260 ( -0.808 2.794 -0.650) 2.980 6.454 ( 3.860 -4.121 2.671) 6.247 6.546 ( -0.507 0.198 -1.241) 1.355 6.787 ( -2.902 -0.386 -3.571) 4.618 7.447 ( 3.141 -1.975 1.322) 3.939 7.550 ( -3.231 1.525 -3.377) 4.917 7.590 ( -0.247 3.407 0.853) 3.521 7.677 ( -2.997 -1.387 2.792) 4.324 7.955 ( 0.132 2.683 -2.965) 4.001 8.057 ( 3.564 -1.834 3.174) 5.112 8.193 ( 2.493 -4.125 2.826) 5.587 8.205 ( -2.441 -0.332 -0.628) 2.543 8.903 ( -8.278 -1.076 5.094) 9.779 9.211 ( 4.288 -4.077 3.736) 6.998 9.352 ( -2.148 4.823 1.721) 5.553 9.503 ( -2.468 0.106 -0.955) 2.648 9.689 ( -0.138 0.381 0.389) 0.562 10.276 ( 4.614 -0.832 2.490) 5.309 10.358 ( -0.654 0.538 -3.989) 4.078 10.441 ( 1.253 1.449 -4.072) 4.500 10.668 ( 3.008 1.108 -2.181) 3.877 10.773 ( 2.511 0.288 -8.898) 9.250 10.926 ( 4.584 -2.416 -1.421) 5.373 11.002 ( -3.143 5.481 -1.748) 6.556 11.137 ( -2.348 -2.735 5.240) 6.360 11.448 ( 1.863 -1.562 -0.031) 2.431 11.641 ( -3.150 -10.079 2.473) 10.846 11.715 ( -0.942 -0.394 -1.072) 1.481 11.881 ( -0.481 6.466 5.238) 8.335 12.044 ( -5.395 -0.292 -1.001) 5.495 12.252 ( 0.653 -0.171 3.541) 3.605 12.467 ( 11.310 -0.900 2.222) 11.561 12.658 ( -0.907 -2.960 -4.699) 5.627 12.911 ( -2.881 -3.805 -5.189) 7.050 13.085 ( -11.803 4.459 3.783) 13.172 13.312 ( -2.971 -0.581 -0.519) 3.071 13.665 ( 3.633 -0.023 -1.510) 3.934 13.930 ( 6.765 -0.499 1.141) 6.879 14.366 ( -5.040 -4.232 4.655) 8.061 14.904 ( 10.376 -6.381 -1.353) 12.256 15.847 ( -10.609 11.330 2.514) 15.723 16.548 ( 1.567 4.475 -1.823) 5.080 17.051 ( 4.135 -0.138 -1.092) 4.279 17.379 ( 1.578 0.612 -3.617) 3.994 20.400 ( -2.401 -1.229 4.518) 5.261 20.866 ( 2.311 0.387 -3.945) 4.588 21.157 ( 1.223 0.066 2.723) 2.986 21.249 ( -1.187 1.134 -1.463) 2.199 21.472 ( -0.346 -1.871 -0.007) 1.903 21.567 ( -2.822 -1.722 -1.874) 3.800 22.513 ( -1.781 -0.443 3.006) 3.522 22.911 ( 1.557 -0.395 -1.258) 2.040 23.048 ( 1.700 -3.781 2.800) 5.002 23.262 ( -0.523 -1.888 -1.267) 2.333 23.389 ( 1.446 -2.163 -0.004) 2.602 23.507 ( 0.649 -1.319 -3.332) 3.642 23.580 ( 3.892 -1.465 2.948) 5.098 23.595 ( 0.118 0.684 -0.127) 0.706 23.715 ( -1.868 2.479 -0.806) 3.207 23.837 ( -3.154 10.942 -0.088) 11.388 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 10.389 0.000 -10.170) 14.538 1.258 ( 0.079 0.000 -6.670) 6.671 1.538 ( -11.337 -0.000 11.547) 16.183 1.617 ( 0.700 0.000 -5.643) 5.687 2.066 ( -15.268 -0.000 -1.582) 15.350 2.130 ( -0.001 -0.000 -4.963) 4.963 2.330 ( -2.461 -0.000 -1.634) 2.954 2.414 ( 11.040 0.000 -1.887) 11.200 2.482 ( 0.520 0.000 -0.878) 1.021 2.742 ( 2.182 0.000 15.225) 15.381 2.794 ( 4.630 0.000 -0.139) 4.632 2.919 ( -2.482 -0.000 -15.098) 15.301 3.139 ( -6.305 -0.000 0.555) 6.329 3.261 ( 7.941 0.000 -0.343) 7.949 3.273 ( -4.245 -0.000 1.027) 4.367 3.568 ( -0.782 -0.000 10.976) 11.004 3.627 ( -4.554 -0.000 -5.778) 7.357 3.694 ( 1.683 0.000 5.733) 5.975 3.973 ( -6.697 -0.000 -7.804) 10.284 3.991 ( 3.970 0.000 2.134) 4.507 4.076 ( 8.354 0.000 -4.515) 9.496 4.201 ( -1.613 -0.000 -3.545) 3.895 4.457 ( -1.780 -0.000 1.444) 2.292 4.509 ( -5.260 -0.000 -2.338) 5.756 4.962 ( 1.524 0.000 -4.165) 4.435 4.988 ( 1.593 0.000 -3.483) 3.830 5.109 ( 4.017 0.000 1.891) 4.440 5.192 ( 2.019 0.000 4.912) 5.310 5.351 ( -5.805 -0.000 6.351) 8.604 5.375 ( 1.122 0.000 6.807) 6.899 5.543 ( 0.063 0.000 10.247) 10.247 5.686 ( 1.929 0.000 -2.735) 3.347 5.704 ( 0.785 0.000 -3.294) 3.387 5.888 ( 2.626 0.000 2.975) 3.968 6.059 ( 1.895 0.000 -0.022) 1.895 6.101 ( -0.019 -0.000 -0.612) 0.613 6.296 ( -5.427 -0.000 0.178) 5.430 6.342 ( 1.403 0.000 3.389) 3.668 6.546 ( 0.021 0.000 -3.059) 3.059 7.176 ( 4.399 0.000 -10.047) 10.968 7.586 ( -3.420 -0.000 4.939) 6.008 7.667 ( 1.301 0.000 -0.225) 1.320 7.708 ( 3.148 0.000 0.121) 3.151 7.874 ( -1.082 -0.000 -0.490) 1.188 7.943 ( -2.924 -0.000 -0.900) 3.059 8.045 ( 3.476 0.000 -2.562) 4.318 8.097 ( 2.431 0.000 2.713) 3.643 8.341 ( -2.713 -0.000 2.780) 3.885 8.426 ( -2.045 -0.000 8.436) 8.680 8.892 ( -2.518 -0.000 -4.429) 5.095 9.281 ( -1.996 -0.000 -12.229) 12.391 9.771 ( 0.410 0.000 -15.112) 15.117 9.795 ( -1.174 -0.000 11.057) 11.119 9.985 ( -2.418 -0.000 -0.156) 2.423 10.220 ( 1.838 0.000 -1.839) 2.600 10.275 ( -2.089 -0.000 2.316) 3.119 10.534 ( -5.355 -0.000 0.887) 5.428 10.605 ( 4.304 0.000 -5.908) 7.310 10.657 ( 6.115 0.000 -0.241) 6.120 11.046 ( -7.309 -0.000 -12.196) 14.218 11.159 ( -2.994 -0.000 12.360) 12.717 11.536 ( 1.012 0.000 6.978) 7.051 11.581 ( 0.192 0.000 2.779) 2.786 11.674 ( 1.938 0.000 3.122) 3.675 12.213 ( -2.430 -0.000 -5.706) 6.202 12.427 ( 1.189 0.000 8.181) 8.267 12.468 ( 0.728 0.000 -7.732) 7.766 12.534 ( -2.622 -0.000 -0.308) 2.640 12.823 ( -2.558 -0.000 2.077) 3.295 12.911 ( 1.303 0.000 -4.984) 5.152 13.293 ( 5.028 0.000 -1.607) 5.278 13.368 ( 4.323 0.000 -7.103) 8.315 13.605 ( 2.263 0.000 1.563) 2.750 13.665 ( -0.927 -0.000 4.024) 4.129 13.907 ( -0.034 -0.000 2.970) 2.971 14.010 ( -4.699 -0.000 0.610) 4.739 16.846 ( -2.809 -0.000 3.080) 4.169 16.926 ( -4.584 -0.000 5.539) 7.190 17.066 ( 12.185 0.000 2.722) 12.485 17.359 ( 1.971 0.000 -1.568) 2.519 20.486 ( -1.094 -0.000 -0.863) 1.394 21.057 ( 1.673 0.000 -2.800) 3.262 21.207 ( -2.620 -0.000 -4.369) 5.094 21.279 ( -2.727 -0.000 -3.187) 4.195 21.407 ( -2.268 -0.000 -1.574) 2.761 21.781 ( -7.405 -0.000 -12.577) 14.595 22.234 ( -0.113 -0.000 14.959) 14.959 22.429 ( 7.710 0.000 9.107) 11.933 22.559 ( -0.179 -0.000 0.823) 0.842 22.851 ( -0.978 -0.000 -0.893) 1.324 23.342 ( 2.039 0.000 -5.084) 5.478 23.395 ( -1.886 -0.000 -3.082) 3.613 23.549 ( -0.077 -0.000 3.011) 3.012 23.611 ( 0.195 0.000 1.187) 1.203 23.856 ( -0.542 -0.000 9.555) 9.570 24.924 ( 5.631 0.000 -6.109) 8.308 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 3.545 -12.158 -5.204) 13.691 1.523 ( -4.135 -12.678 -0.791) 13.359 1.589 ( -1.541 -17.178 -1.678) 17.328 1.757 ( 0.999 -13.033 0.362) 13.077 1.886 ( -20.692 -1.417 -3.695) 21.067 2.120 ( 0.038 -3.534 -5.008) 6.129 2.366 ( -4.682 -0.971 -5.080) 6.977 2.427 ( -0.191 -6.051 -2.856) 6.694 2.577 ( 9.878 -1.293 5.207) 11.241 2.759 ( 0.660 -0.597 -6.083) 6.148 2.882 ( 4.886 -4.830 5.374) 8.722 2.960 ( 6.887 -4.830 1.392) 8.527 3.055 ( -1.461 3.985 -0.130) 4.246 3.286 ( 5.864 4.735 3.135) 8.163 3.329 ( -7.011 -9.494 -2.158) 11.998 3.530 ( -2.577 2.184 -1.418) 3.663 3.628 ( -4.662 -1.717 0.989) 5.065 3.655 ( 1.656 5.678 3.919) 7.095 3.891 ( -7.705 -3.304 0.327) 8.389 4.027 ( -2.654 -2.640 -4.634) 5.957 4.173 ( -0.043 -0.006 -3.498) 3.498 4.236 ( 10.825 -1.875 0.644) 11.005 4.434 ( -2.132 -0.056 2.356) 3.178 4.528 ( 0.772 -5.998 -3.883) 7.187 4.946 ( -0.803 0.322 -5.020) 5.094 4.955 ( 2.365 2.343 -5.227) 6.197 5.129 ( 4.374 1.513 1.537) 4.877 5.194 ( -1.309 2.949 5.997) 6.810 5.285 ( -5.453 3.137 4.993) 8.032 5.390 ( 0.939 3.786 5.377) 6.643 5.601 ( 0.035 -0.216 7.945) 7.948 5.679 ( 2.095 1.982 1.045) 3.067 5.731 ( 0.637 -3.452 -3.109) 4.689 5.950 ( 5.639 2.281 2.493) 6.574 6.052 ( 3.459 2.933 1.945) 4.935 6.068 ( -4.038 0.399 2.392) 4.710 6.201 ( -3.732 1.731 -3.606) 5.471 6.362 ( -0.159 1.103 6.212) 6.311 6.556 ( 1.094 -1.962 -2.982) 3.733 7.081 ( 0.473 6.859 -10.594) 12.630 7.517 ( -3.806 4.431 4.028) 7.096 7.716 ( 0.116 -3.454 0.348) 3.473 7.767 ( 2.847 -0.676 -0.995) 3.091 7.866 ( 1.898 1.087 -1.632) 2.729 7.920 ( -5.326 -3.810 1.363) 6.689 8.034 ( 0.060 3.837 -0.723) 3.905 8.105 ( 5.377 3.387 4.172) 7.602 8.303 ( -3.290 3.128 0.530) 4.571 8.545 ( 3.480 -7.957 11.085) 14.082 8.932 ( 0.635 -6.638 -4.900) 8.275 9.227 ( -0.439 -2.463 -12.375) 12.625 9.760 ( -2.455 -2.119 -7.363) 8.046 9.816 ( -3.615 0.889 4.668) 5.971 9.995 ( 2.197 -7.614 -5.728) 9.778 10.225 ( 1.472 -0.160 1.645) 2.213 10.328 ( 1.348 -3.699 -1.199) 4.115 10.506 ( -3.542 -1.486 0.360) 3.858 10.595 ( 4.165 0.855 -6.503) 7.769 10.731 ( -0.583 -4.057 -1.236) 4.281 10.960 ( -0.445 -2.444 -8.502) 8.858 11.202 ( -4.587 -0.406 12.446) 13.270 11.528 ( -3.016 5.145 5.673) 8.231 11.549 ( 0.096 4.632 5.345) 7.073 11.708 ( 3.196 -0.029 2.356) 3.971 12.122 ( -4.575 2.279 -7.513) 9.087 12.354 ( -3.220 9.308 4.143) 10.685 12.388 ( 1.653 3.313 -6.931) 7.858 12.558 ( -0.676 -2.654 2.336) 3.599 12.825 ( 2.377 6.733 -4.914) 8.668 12.904 ( -2.496 -5.624 -1.424) 6.315 13.216 ( 4.910 8.502 -0.206) 9.821 13.361 ( 1.885 0.892 -5.517) 5.898 13.602 ( 0.070 0.548 3.358) 3.403 13.712 ( 3.389 -2.443 3.624) 5.530 13.993 ( 0.756 -5.864 3.127) 6.689 14.183 ( 4.118 -15.018 -0.436) 15.579 16.745 ( -10.078 7.971 1.526) 12.939 16.904 ( -4.096 1.038 4.991) 6.540 17.094 ( 11.385 8.649 6.428) 15.676 17.364 ( 1.120 0.191 -1.450) 1.842 20.460 ( -1.279 1.275 -0.701) 1.937 21.046 ( 2.777 0.724 -3.413) 4.459 21.125 ( -2.599 3.764 -3.773) 5.929 21.241 ( -5.422 -2.484 -6.172) 8.583 21.377 ( 0.456 0.707 0.753) 1.129 21.695 ( -5.739 -1.310 -10.215) 11.790 22.389 ( 1.483 -4.101 11.659) 12.448 22.475 ( 6.000 -2.049 9.806) 11.677 22.680 ( 2.122 -6.907 0.480) 7.242 22.878 ( -1.565 -4.538 -0.681) 4.849 23.333 ( 1.407 -0.144 -3.798) 4.053 23.388 ( -1.283 -2.686 -4.525) 5.416 23.559 ( 0.281 0.610 2.965) 3.040 23.621 ( 0.319 -0.018 0.984) 1.034 23.879 ( -2.363 1.914 9.877) 10.334 24.816 ( 3.149 12.497 -6.107) 14.262 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -1.876 -15.935 0.719) 16.062 1.565 ( -12.159 -2.109 1.733) 12.462 1.837 ( -10.748 -13.515 -14.839) 22.768 1.855 ( -9.911 -13.794 0.957) 17.012 2.085 ( 6.585 -12.951 5.732) 15.619 2.247 ( 6.256 -9.292 -4.260) 11.984 2.320 ( -5.082 -6.490 -1.943) 8.469 2.594 ( 3.831 -9.303 -4.151) 10.884 2.758 ( 4.649 -7.835 3.412) 9.729 2.781 ( 3.353 -2.811 -7.851) 8.988 2.950 ( 4.440 3.273 -0.529) 5.541 3.078 ( 4.403 -3.317 7.347) 9.185 3.136 ( 6.615 -5.662 1.928) 8.918 3.204 ( 0.220 6.983 0.204) 6.989 3.439 ( -6.587 -5.792 -1.182) 8.850 3.526 ( 0.528 -4.544 -0.262) 4.582 3.555 ( 2.883 5.661 9.891) 11.755 3.685 ( -4.800 -8.137 -5.571) 10.968 3.903 ( -8.885 -3.909 1.379) 9.805 4.012 ( -3.784 -0.017 -1.194) 3.968 4.085 ( -2.743 4.720 -7.216) 9.049 4.265 ( 3.313 3.166 -2.507) 5.223 4.476 ( 3.602 -1.152 3.409) 5.091 4.664 ( 2.173 -5.712 -4.398) 7.529 4.882 ( 0.309 0.423 -2.780) 2.829 4.968 ( 4.597 -2.722 -1.288) 5.496 5.120 ( 2.243 2.839 -1.248) 3.827 5.167 ( -0.872 3.942 7.000) 8.081 5.238 ( -2.855 -0.077 5.096) 5.842 5.345 ( 0.626 2.969 3.299) 4.482 5.579 ( -3.144 4.647 3.855) 6.807 5.641 ( -1.932 1.333 -0.918) 2.520 5.762 ( 1.676 3.810 -3.209) 5.255 5.876 ( -3.176 3.153 -2.334) 5.047 5.992 ( 0.131 2.826 0.774) 2.933 6.060 ( -1.741 -0.503 7.038) 7.268 6.294 ( 7.051 -4.827 1.280) 8.640 6.371 ( 2.969 1.953 7.822) 8.592 6.578 ( 1.061 -0.227 -2.779) 2.983 6.869 ( -4.436 5.999 -10.666) 13.017 7.461 ( 1.086 2.315 4.580) 5.245 7.693 ( -6.156 1.355 -0.177) 6.306 7.730 ( 0.333 5.632 -2.872) 6.331 7.832 ( -0.926 7.212 1.485) 7.421 7.965 ( 2.681 -2.668 -0.599) 3.830 8.018 ( 0.929 -4.119 0.443) 4.246 8.139 ( 5.038 1.273 6.507) 8.327 8.199 ( -2.451 4.148 -1.242) 4.976 8.776 ( -2.627 -7.156 8.901) 11.719 9.056 ( 4.332 -5.395 -1.187) 7.020 9.251 ( 2.449 -6.081 -7.951) 10.305 9.669 ( -9.414 3.713 -5.032) 11.302 9.752 ( -1.066 4.182 6.173) 7.532 10.220 ( 8.961 -7.966 -13.865) 18.330 10.277 ( 1.826 -4.236 5.517) 7.191 10.373 ( -0.050 -1.848 -3.987) 4.395 10.572 ( -3.568 -6.261 0.648) 7.235 10.620 ( 10.428 -6.106 -9.823) 15.573 10.767 ( -3.221 -4.398 -4.819) 7.276 11.053 ( 4.815 -4.968 1.547) 7.090 11.202 ( -7.162 2.292 9.893) 12.427 11.387 ( -5.571 6.010 3.257) 8.818 11.491 ( -0.253 3.905 6.866) 7.903 11.743 ( 3.245 0.536 0.736) 3.371 12.012 ( -4.152 0.408 -6.914) 8.075 12.170 ( -3.025 8.858 3.144) 9.874 12.307 ( -0.339 3.087 -3.085) 4.378 12.581 ( 3.700 2.017 -0.312) 4.225 12.700 ( 2.024 5.409 -3.992) 7.021 12.884 ( -1.741 2.591 -5.338) 6.184 13.163 ( -3.361 0.024 2.727) 4.328 13.314 ( -1.323 1.498 -2.792) 3.434 13.632 ( 2.940 -0.865 1.738) 3.523 13.841 ( 6.741 -3.793 3.398) 8.448 14.145 ( 0.236 -7.504 3.211) 8.165 14.520 ( 10.516 -13.903 -0.248) 17.434 16.423 ( -13.673 16.027 1.415) 21.115 16.797 ( -8.273 7.116 4.772) 11.910 17.095 ( 11.506 4.581 4.506) 13.179 17.362 ( 0.234 -0.819 -3.118) 3.232 20.418 ( -1.990 1.581 0.982) 2.725 20.966 ( 1.270 4.786 -8.144) 9.531 21.112 ( 0.743 -2.419 3.526) 4.340 21.216 ( -5.245 -2.556 -4.949) 7.651 21.400 ( 2.644 -0.852 1.515) 3.164 21.607 ( -3.410 1.352 -6.245) 7.243 22.465 ( 1.085 -0.937 6.243) 6.406 22.750 ( 6.799 -9.776 9.907) 15.491 22.810 ( 2.543 -6.029 -1.934) 6.823 22.981 ( -1.549 -8.481 -0.750) 8.654 23.341 ( 0.580 -1.670 -2.487) 3.051 23.412 ( -0.226 -2.931 -4.709) 5.551 23.568 ( 0.771 0.375 2.783) 2.912 23.623 ( 0.494 0.522 0.494) 0.871 23.848 ( -3.394 3.732 7.721) 9.223 24.470 ( -3.285 19.907 -6.229) 21.116 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( -8.687 -1.158 8.381) 12.126 1.642 ( -4.737 -14.247 2.493) 15.220 1.814 ( -8.585 -4.597 -13.912) 16.982 2.115 ( -0.840 -13.533 3.077) 13.904 2.342 ( 2.793 -7.918 3.127) 8.959 2.431 ( -3.315 -5.751 3.117) 7.333 2.489 ( 5.473 -10.446 -2.191) 11.995 2.732 ( 3.850 -0.871 -7.958) 8.883 2.786 ( 6.829 -5.101 -6.219) 10.552 2.910 ( 3.399 1.437 2.998) 4.755 3.053 ( -0.029 -10.636 -1.232) 10.707 3.082 ( -0.049 1.768 -0.348) 1.802 3.163 ( 3.443 2.216 -0.854) 4.183 3.241 ( 0.228 -0.246 4.062) 4.076 3.412 ( -3.498 3.681 4.341) 6.680 3.544 ( -0.118 -0.502 -0.769) 0.926 3.688 ( 11.333 -1.604 1.201) 11.509 3.772 ( -0.932 -4.697 -1.255) 4.950 3.899 ( -5.284 -5.332 -7.047) 10.296 3.926 ( -8.041 0.895 5.456) 9.758 4.034 ( -1.065 -2.943 1.356) 3.411 4.174 ( -2.164 3.738 -6.000) 7.393 4.544 ( 1.931 -0.927 3.217) 3.865 4.692 ( 1.114 0.332 -2.148) 2.442 4.898 ( -2.219 -3.731 -4.892) 6.540 5.079 ( -2.791 0.209 -2.158) 3.534 5.096 ( 3.080 1.293 5.651) 6.564 5.127 ( 7.468 1.563 -0.005) 7.630 5.240 ( -2.372 0.186 8.652) 8.974 5.319 ( -1.370 1.393 1.402) 2.405 5.474 ( -2.913 2.062 -3.045) 4.691 5.591 ( -1.780 2.608 -0.709) 3.236 5.672 ( 1.203 4.524 0.571) 4.716 5.747 ( -5.039 3.945 -0.116) 6.401 5.990 ( 2.524 0.923 -0.239) 2.698 6.123 ( 2.517 -2.212 1.471) 3.659 6.301 ( -1.766 3.592 2.563) 4.753 6.470 ( 2.444 1.176 -2.059) 3.406 6.561 ( 4.005 -0.483 4.090) 5.745 6.744 ( -1.147 0.079 -5.164) 5.291 7.480 ( 4.419 1.029 2.620) 5.239 7.577 ( -2.663 6.260 -3.413) 7.611 7.636 ( -4.955 -0.609 1.476) 5.206 7.680 ( -1.671 6.693 0.538) 6.920 8.012 ( 1.801 2.759 -1.655) 3.687 8.099 ( 2.651 1.166 0.749) 2.992 8.112 ( -0.997 -4.381 2.376) 5.082 8.210 ( 1.888 -0.339 1.591) 2.492 8.839 ( -5.590 -1.689 3.383) 6.749 9.176 ( 2.649 -5.160 2.378) 6.268 9.405 ( 4.594 -6.691 1.813) 8.316 9.450 ( -10.196 7.404 -3.340) 13.035 9.714 ( -0.415 1.911 1.939) 2.754 10.279 ( 3.139 -2.090 -1.702) 4.138 10.341 ( -0.184 0.552 -4.292) 4.331 10.419 ( 2.209 -3.547 -0.552) 4.215 10.645 ( -2.532 -4.929 -3.773) 6.704 10.793 ( 6.530 1.400 -2.959) 7.305 10.811 ( 7.304 -7.043 -12.912) 16.421 11.090 ( -5.113 3.101 2.223) 6.379 11.136 ( -3.834 2.087 8.818) 9.840 11.417 ( 7.300 -6.434 -1.500) 9.846 11.498 ( -3.355 -2.640 8.315) 9.347 11.741 ( 2.377 2.143 -0.188) 3.206 11.978 ( -3.447 -2.085 -1.604) 4.336 12.021 ( -2.297 6.797 4.036) 8.232 12.257 ( -1.368 0.493 1.549) 2.124 12.562 ( -0.752 -0.271 -7.817) 7.858 12.632 ( 8.447 4.559 1.600) 9.731 12.804 ( -2.106 -0.015 -5.427) 5.821 13.106 ( -7.296 3.120 3.473) 8.662 13.280 ( -1.061 -0.145 -1.898) 2.179 13.686 ( 3.729 -0.992 -0.645) 3.912 13.959 ( 3.325 -1.809 2.463) 4.516 14.282 ( 0.106 -4.808 2.833) 5.581 14.847 ( 12.778 -10.170 0.601) 16.342 15.998 ( -15.562 15.427 2.164) 22.019 16.627 ( -5.076 5.511 1.188) 7.586 17.121 ( 6.523 3.231 0.722) 7.315 17.366 ( 0.832 -1.044 -3.641) 3.878 20.392 ( -2.395 0.257 3.314) 4.097 20.876 ( 1.557 1.898 -5.875) 6.368 21.159 ( -2.802 -0.854 -0.726) 3.018 21.223 ( 0.576 -2.240 1.147) 2.582 21.451 ( 1.285 -2.134 1.432) 2.874 21.552 ( 2.039 1.694 -0.857) 2.786 22.509 ( -1.030 -0.565 3.767) 3.946 22.888 ( 1.854 -2.599 -3.065) 4.425 22.969 ( 0.224 -5.878 0.907) 5.952 23.167 ( 3.516 -8.438 1.379) 9.244 23.377 ( 0.883 -2.946 -2.002) 3.670 23.441 ( 0.798 -2.453 -2.798) 3.805 23.589 ( 0.687 -0.397 1.860) 2.022 23.620 ( 1.733 0.425 0.312) 1.811 23.769 ( -3.746 4.811 4.468) 7.559 24.043 ( -7.014 16.293 -3.272) 18.038 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 10.893 0.000 -5.238) 12.087 1.126 ( -7.400 -0.000 -10.401) 12.765 1.478 ( -7.536 -0.000 5.605) 9.391 1.647 ( -23.519 -0.000 -3.679) 23.805 1.661 ( 4.202 0.000 6.454) 7.701 2.057 ( 2.265 0.000 -8.270) 8.575 2.302 ( 0.179 0.000 -0.231) 0.292 2.356 ( -9.525 -0.000 -5.110) 10.809 2.557 ( -10.707 -0.000 -6.272) 12.409 2.778 ( 7.383 0.000 0.317) 7.390 2.867 ( -0.897 -0.000 -0.425) 0.993 2.964 ( 10.571 0.000 4.202) 11.375 3.079 ( 3.206 0.000 4.329) 5.387 3.248 ( 3.294 0.000 -0.243) 3.303 3.406 ( 5.354 0.000 0.480) 5.375 3.495 ( -10.524 -0.000 -5.105) 11.697 3.547 ( 1.076 0.000 -1.961) 2.237 3.763 ( -0.238 -0.000 -1.606) 1.624 3.800 ( -5.242 -0.000 7.461) 9.118 3.955 ( -2.709 -0.000 -1.301) 3.006 4.176 ( 2.404 0.000 -2.402) 3.398 4.360 ( 14.811 0.000 4.918) 15.606 4.437 ( -1.527 -0.000 -2.518) 2.944 4.456 ( 0.964 0.000 4.453) 4.557 4.905 ( -1.386 -0.000 -5.406) 5.581 4.967 ( 1.770 0.000 -5.914) 6.173 5.152 ( -1.418 -0.000 -1.129) 1.812 5.186 ( -6.512 -0.000 1.939) 6.795 5.367 ( 0.728 0.000 5.315) 5.364 5.454 ( 0.802 0.000 7.352) 7.395 5.619 ( 1.540 0.000 1.676) 2.276 5.673 ( 0.199 0.000 -3.908) 3.913 5.779 ( 1.327 0.000 10.038) 10.126 5.980 ( 0.042 0.000 0.105) 0.113 6.051 ( -4.831 -0.000 0.474) 4.854 6.140 ( 8.013 0.000 2.815) 8.493 6.143 ( -7.805 -0.000 -7.210) 10.626 6.394 ( -2.520 -0.000 7.564) 7.973 6.549 ( 5.017 0.000 -1.244) 5.169 7.123 ( 2.482 0.000 -13.962) 14.181 7.556 ( -2.571 -0.000 4.756) 5.407 7.663 ( -0.457 -0.000 -0.036) 0.458 7.787 ( 0.532 0.000 -2.947) 2.995 7.830 ( -4.019 -0.000 3.211) 5.145 7.890 ( 2.913 0.000 -1.277) 3.181 8.050 ( -0.362 -0.000 -1.999) 2.032 8.219 ( 5.470 0.000 4.257) 6.932 8.291 ( -5.349 -0.000 -0.967) 5.436 8.558 ( 3.881 0.000 10.792) 11.469 8.865 ( 6.114 0.000 -2.802) 6.726 9.145 ( 2.127 0.000 -12.216) 12.400 9.611 ( -0.016 -0.000 -14.391) 14.391 9.869 ( -4.841 -0.000 11.478) 12.457 9.900 ( -3.978 -0.000 -3.086) 5.035 10.237 ( 0.498 0.000 1.119) 1.224 10.303 ( 2.540 0.000 -0.656) 2.623 10.462 ( -1.509 -0.000 -3.118) 3.464 10.617 ( 4.692 0.000 -5.764) 7.432 10.639 ( -7.823 -0.000 -4.397) 8.974 10.917 ( 6.553 0.000 -5.224) 8.381 11.242 ( -4.413 -0.000 14.475) 15.133 11.585 ( -4.561 -0.000 6.976) 8.335 11.603 ( -1.653 -0.000 3.293) 3.685 11.761 ( 2.651 0.000 4.206) 4.972 12.058 ( -5.849 -0.000 -8.474) 10.297 12.350 ( -3.358 -0.000 -8.516) 9.154 12.425 ( -6.039 -0.000 -0.170) 6.041 12.584 ( 4.625 0.000 7.620) 8.914 12.829 ( 1.461 0.000 -0.460) 1.532 12.909 ( 5.107 0.000 -5.093) 7.213 13.336 ( 1.567 0.000 -7.932) 8.085 13.373 ( 0.400 0.000 -1.342) 1.400 13.650 ( 6.149 0.000 4.498) 7.618 13.696 ( -0.141 -0.000 -0.302) 0.333 13.953 ( -2.056 -0.000 1.328) 2.448 14.081 ( 13.483 0.000 2.803) 13.771 16.736 ( -11.662 -0.000 0.633) 11.679 16.900 ( -5.409 -0.000 4.847) 7.263 17.255 ( 4.383 0.000 -0.365) 4.398 17.445 ( 6.825 0.000 11.525) 13.394 20.461 ( -0.826 -0.000 -0.973) 1.276 21.040 ( 0.188 0.000 -2.389) 2.396 21.126 ( -1.316 -0.000 -3.804) 4.026 21.144 ( -4.266 -0.000 -10.467) 11.303 21.353 ( -3.164 -0.000 -0.279) 3.176 21.629 ( 0.147 0.000 -4.636) 4.638 22.389 ( -0.416 -0.000 12.974) 12.981 22.586 ( 1.835 0.000 3.028) 3.540 22.607 ( 3.898 0.000 3.133) 5.001 22.826 ( -0.267 -0.000 -0.202) 0.335 23.304 ( -3.551 -0.000 -5.385) 6.450 23.341 ( 3.212 0.000 -3.481) 4.736 23.582 ( 0.192 0.000 2.731) 2.738 23.630 ( 0.634 0.000 0.957) 1.147 23.930 ( -3.810 -0.000 11.675) 12.281 24.948 ( 5.141 0.000 -6.617) 8.379 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -5.273 -11.526 -1.969) 12.827 1.337 ( -11.694 -10.780 -14.401) 21.455 1.440 ( -16.218 -14.067 -5.482) 22.157 1.574 ( -4.091 -2.765 9.419) 10.635 1.902 ( 3.608 -13.975 7.638) 16.330 2.132 ( -3.763 -6.676 -5.009) 9.155 2.156 ( -1.899 -3.580 -5.397) 6.749 2.392 ( 0.157 -7.920 -2.121) 8.201 2.587 ( -4.531 -10.337 -0.023) 11.286 2.808 ( 3.288 0.781 -3.181) 4.642 2.911 ( -1.009 -6.037 -0.736) 6.165 3.142 ( 11.917 -3.272 -1.254) 12.421 3.169 ( 7.515 0.150 7.590) 10.682 3.236 ( -0.657 -0.477 -3.408) 3.503 3.350 ( -3.701 4.586 -0.674) 5.932 3.443 ( -3.229 -1.570 -3.187) 4.801 3.537 ( 3.350 1.094 3.619) 5.051 3.752 ( 2.733 2.605 4.544) 5.908 3.819 ( -2.673 -2.866 1.710) 4.276 3.967 ( -2.779 -2.195 2.982) 4.630 4.142 ( 0.606 4.430 -3.799) 5.867 4.346 ( 1.327 4.535 -3.481) 5.869 4.458 ( -1.610 -2.503 -1.469) 3.319 4.613 ( 10.994 -3.636 4.715) 12.503 4.866 ( -1.444 0.419 -4.592) 4.832 4.966 ( 3.045 -1.822 -0.315) 3.562 5.101 ( -4.097 1.094 -2.694) 5.023 5.179 ( -3.850 -2.795 2.861) 5.552 5.340 ( 2.448 5.169 4.776) 7.451 5.454 ( 0.863 4.682 4.566) 6.596 5.630 ( 1.353 1.077 1.013) 2.004 5.702 ( -2.204 0.677 0.693) 2.407 5.746 ( -0.870 1.555 -0.615) 1.885 5.897 ( -6.846 4.490 -3.946) 9.088 6.002 ( -6.283 2.464 -7.307) 9.947 6.058 ( -1.799 -2.322 7.799) 8.334 6.303 ( 9.722 -5.289 4.070) 11.792 6.421 ( -1.423 -1.470 7.176) 7.461 6.599 ( 6.383 0.729 -0.138) 6.426 6.919 ( -3.135 10.026 -16.159) 19.274 7.547 ( 1.168 2.682 6.689) 7.301 7.656 ( -4.449 0.520 -1.296) 4.663 7.807 ( 1.836 0.773 -0.394) 2.030 7.865 ( -1.180 -6.861 -1.021) 7.036 7.908 ( 2.420 0.133 -0.485) 2.471 8.010 ( -2.136 3.199 -0.490) 3.878 8.196 ( -1.986 1.544 -2.143) 3.305 8.269 ( 2.038 2.562 4.328) 5.427 8.697 ( 0.896 -4.625 8.883) 10.056 9.004 ( 9.099 -5.455 -0.139) 10.610 9.144 ( 5.901 -3.538 -7.802) 10.402 9.598 ( -3.825 -2.406 -7.255) 8.547 9.832 ( -5.823 2.859 6.717) 9.338 9.989 ( 7.190 -13.476 -7.591) 17.056 10.262 ( -1.089 -1.338 4.775) 5.078 10.344 ( 1.665 -2.060 -1.894) 3.256 10.456 ( -0.140 -2.833 -3.058) 4.171 10.551 ( -2.244 -1.538 -7.381) 7.866 10.654 ( 3.220 -2.965 -4.722) 6.439 11.002 ( 5.730 -4.234 -1.035) 7.199 11.257 ( -6.216 1.944 13.936) 15.382 11.491 ( -8.508 7.704 5.970) 12.937 11.585 ( -1.607 2.441 5.399) 6.139 11.786 ( 2.778 0.593 0.715) 2.929 11.952 ( -4.282 1.060 -8.346) 9.440 12.285 ( -2.995 0.320 -7.977) 8.526 12.302 ( -5.029 6.574 2.795) 8.737 12.657 ( 4.784 1.040 5.411) 7.297 12.819 ( 2.910 6.265 -6.655) 9.592 12.892 ( 3.441 0.004 -1.186) 3.640 13.229 ( -2.137 7.988 -1.372) 8.382 13.303 ( -0.402 0.761 -6.331) 6.389 13.652 ( 0.047 0.326 0.584) 0.670 13.832 ( 6.954 -4.754 3.069) 8.966 14.023 ( 2.333 -7.043 1.122) 7.504 14.368 ( 14.478 -13.419 1.767) 19.819 16.548 ( -13.158 9.061 -1.136) 16.016 16.840 ( -10.183 3.661 6.312) 12.528 17.274 ( 3.337 -0.428 -2.331) 4.093 17.452 ( 6.298 11.904 11.309) 17.586 20.437 ( -1.595 1.349 1.383) 2.505 21.005 ( -0.077 3.755 -11.428) 12.029 21.070 ( -1.560 -3.090 1.382) 3.727 21.123 ( -1.315 -1.946 -1.033) 2.566 21.360 ( -2.853 -3.061 -1.440) 4.425 21.615 ( 3.647 0.808 -0.836) 3.828 22.480 ( -0.732 -1.895 4.796) 5.209 22.669 ( 3.908 -7.438 5.481) 10.032 22.713 ( 2.632 -5.994 2.879) 7.151 22.858 ( 0.071 -3.302 -0.851) 3.411 23.261 ( -3.967 -2.166 -5.897) 7.429 23.369 ( 3.419 -1.430 -2.229) 4.325 23.593 ( 0.197 0.323 2.432) 2.461 23.638 ( 0.776 0.235 0.469) 0.936 23.929 ( -4.460 2.839 10.658) 11.897 24.769 ( -0.509 17.731 -8.706) 19.760 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.279 ( -19.515 -10.528 6.046) 22.983 1.297 ( -10.330 -18.100 -6.875) 21.945 1.577 ( -6.617 -7.102 0.426) 9.717 1.789 ( 0.925 -21.182 -0.312) 21.204 2.105 ( -6.287 -12.496 -0.799) 14.012 2.329 ( 6.618 -11.002 2.771) 13.134 2.364 ( 6.979 -8.357 -0.114) 10.889 2.582 ( 3.004 -12.545 -6.410) 14.405 2.771 ( 2.463 -6.474 -4.350) 8.180 2.808 ( 0.777 -4.547 -0.943) 4.708 2.995 ( -1.591 1.744 0.189) 2.368 3.131 ( -2.430 -5.070 -4.615) 7.274 3.180 ( -1.521 4.084 2.508) 5.029 3.289 ( 7.156 2.153 2.397) 7.848 3.350 ( -2.406 -5.484 -1.653) 6.212 3.495 ( -4.910 -7.116 1.542) 8.782 3.618 ( 5.962 -2.969 4.355) 7.958 3.759 ( 8.075 3.193 7.456) 11.445 3.860 ( -0.564 1.404 -0.807) 1.715 3.954 ( -3.509 2.226 7.152) 8.272 4.040 ( 2.594 1.235 -4.419) 5.271 4.243 ( 2.087 5.519 -6.866) 9.053 4.472 ( -5.592 -4.046 -4.651) 8.323 4.709 ( 1.713 0.655 1.049) 2.113 4.837 ( 2.123 -0.230 -3.504) 4.104 5.011 ( -5.511 -0.951 -2.095) 5.972 5.109 ( 5.862 -2.080 0.583) 6.247 5.237 ( -1.704 -2.866 4.647) 5.720 5.291 ( 3.103 4.858 6.321) 8.555 5.388 ( 1.664 4.392 2.709) 5.421 5.518 ( -6.667 7.175 1.432) 9.899 5.624 ( 0.401 3.435 -2.920) 4.526 5.742 ( -7.097 3.931 -0.713) 8.144 5.756 ( 0.363 -0.313 -2.896) 2.935 5.957 ( 1.931 -4.039 -5.836) 7.355 6.137 ( 0.043 -1.039 8.951) 9.011 6.372 ( -2.174 2.817 5.302) 6.385 6.484 ( -1.676 3.397 -7.177) 8.115 6.628 ( 7.534 -1.434 4.518) 8.901 6.718 ( 1.630 0.698 -7.152) 7.369 7.565 ( -0.587 -0.067 4.576) 4.614 7.591 ( 0.170 2.933 0.761) 3.035 7.699 ( -0.652 8.123 -3.054) 8.703 7.815 ( -1.166 8.406 0.129) 8.487 7.994 ( 1.463 -5.123 -1.644) 5.576 8.025 ( -1.550 -4.920 1.129) 5.281 8.143 ( -0.772 1.885 -2.846) 3.500 8.269 ( 2.714 2.443 5.382) 6.504 8.786 ( -2.401 -2.258 3.430) 4.757 9.105 ( 4.098 -3.776 -1.721) 5.832 9.319 ( 7.212 -7.043 1.363) 10.173 9.493 ( -8.055 5.042 -0.632) 9.524 9.757 ( -5.361 2.951 4.038) 7.332 10.226 ( 3.882 -5.251 -8.655) 10.842 10.286 ( -5.276 -0.954 0.393) 5.376 10.397 ( 6.239 -3.392 -0.261) 7.107 10.516 ( 1.287 -4.518 -3.141) 5.651 10.662 ( 4.594 -7.282 -8.550) 12.134 10.816 ( 16.219 -9.362 -2.594) 18.906 11.075 ( -4.520 -0.102 2.439) 5.137 11.196 ( -9.845 4.545 8.376) 13.702 11.369 ( 3.748 -1.839 3.972) 5.763 11.553 ( -1.430 3.237 7.420) 8.220 11.795 ( 2.533 1.073 -1.364) 3.071 11.900 ( -1.098 -2.345 -3.901) 4.682 12.130 ( -3.659 6.436 -0.305) 7.410 12.238 ( -4.954 0.250 0.510) 4.986 12.608 ( 0.573 8.973 -1.666) 9.144 12.734 ( 4.522 0.960 -0.786) 4.690 12.865 ( 5.704 5.338 -4.845) 9.192 13.109 ( -5.341 2.012 2.754) 6.337 13.265 ( 1.053 0.195 -5.343) 5.449 13.672 ( 0.146 -2.170 -1.038) 2.410 13.955 ( 2.135 -2.359 3.528) 4.751 14.206 ( 5.368 -7.011 0.330) 8.836 14.754 ( 14.532 -12.761 1.535) 19.400 16.168 ( -17.461 16.674 0.738) 24.155 16.671 ( -12.637 5.517 5.418) 14.815 17.296 ( 7.602 7.161 0.671) 10.466 17.323 ( -1.091 0.629 -2.915) 3.176 20.408 ( -2.198 1.539 4.238) 5.016 20.897 ( 1.089 2.665 -7.299) 7.846 21.086 ( -3.606 -1.803 -1.774) 4.405 21.207 ( 2.312 -3.430 4.982) 6.476 21.376 ( -3.700 -3.269 -2.835) 5.693 21.674 ( 11.842 2.124 5.224) 13.116 22.511 ( -0.806 -0.551 2.626) 2.802 22.799 ( 1.641 -6.386 -4.529) 7.999 22.883 ( -0.406 -3.023 -0.282) 3.064 23.037 ( 7.322 -12.451 5.176) 15.343 23.254 ( -4.279 -4.521 -6.530) 9.022 23.422 ( 3.506 -1.803 -0.527) 3.978 23.600 ( -0.139 0.245 1.672) 1.695 23.640 ( 1.205 0.380 0.077) 1.266 23.864 ( -4.571 5.196 7.837) 10.455 24.276 ( -11.617 20.689 -8.174) 25.096 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -18.365 -0.000 -11.000) 21.407 1.036 ( -27.788 -0.000 -12.508) 30.473 1.173 ( 2.822 0.000 -2.676) 3.890 1.551 ( -16.581 -0.000 8.313) 18.548 1.822 ( 3.179 0.000 5.933) 6.731 1.925 ( -15.715 -0.000 0.001) 15.715 2.081 ( 8.465 0.000 -2.250) 8.759 2.344 ( 5.290 0.000 -0.428) 5.307 2.450 ( -3.370 -0.000 2.706) 4.322 2.769 ( -4.549 -0.000 -4.656) 6.510 2.869 ( 1.189 0.000 -0.072) 1.192 3.170 ( 7.866 0.000 3.462) 8.594 3.228 ( -5.848 -0.000 -6.062) 8.422 3.269 ( 14.880 0.000 -3.699) 15.333 3.414 ( 3.969 0.000 2.660) 4.778 3.429 ( -0.551 -0.000 -0.327) 0.641 3.623 ( 2.828 0.000 5.888) 6.532 3.711 ( 5.507 0.000 -6.177) 8.275 3.865 ( -1.414 -0.000 9.388) 9.493 3.925 ( -0.669 -0.000 1.579) 1.715 4.174 ( -0.913 -0.000 -2.759) 2.906 4.383 ( -2.404 -0.000 -2.019) 3.139 4.409 ( -2.525 -0.000 1.109) 2.758 4.708 ( 9.378 0.000 3.309) 9.944 4.851 ( 0.235 0.000 -0.246) 0.340 4.937 ( -2.108 -0.000 0.796) 2.253 5.107 ( -2.822 -0.000 2.250) 3.609 5.110 ( 1.536 0.000 -1.116) 1.899 5.445 ( 1.323 0.000 4.985) 5.158 5.531 ( 0.233 0.000 2.327) 2.339 5.627 ( 0.012 0.000 -3.733) 3.733 5.651 ( 0.729 0.000 0.713) 1.020 5.757 ( -8.646 -0.000 -5.290) 10.136 5.900 ( -3.062 -0.000 -5.429) 6.233 5.930 ( -7.734 -0.000 -3.060) 8.318 6.042 ( -0.951 -0.000 7.669) 7.728 6.290 ( 5.424 0.000 -2.457) 5.954 6.413 ( -5.421 -0.000 7.584) 9.323 6.688 ( 8.852 0.000 1.865) 9.046 6.916 ( -1.943 -0.000 -25.625) 25.699 7.650 ( 2.809 0.000 7.983) 8.463 7.656 ( -0.450 -0.000 -0.772) 0.894 7.675 ( -4.383 -0.000 0.600) 4.424 7.867 ( 1.217 0.000 -1.499) 1.931 7.921 ( 2.489 0.000 -1.502) 2.907 7.995 ( -1.678 -0.000 -3.816) 4.168 8.177 ( -4.860 -0.000 -1.405) 5.059 8.340 ( 3.227 0.000 4.191) 5.289 8.722 ( 1.390 0.000 9.781) 9.879 9.028 ( 11.833 0.000 1.577) 11.938 9.150 ( 9.685 0.000 -2.611) 10.031 9.489 ( -0.262 -0.000 -8.175) 8.179 9.818 ( 1.136 0.000 -6.351) 6.452 9.868 ( -9.542 -0.000 12.725) 15.906 10.267 ( -1.299 -0.000 6.765) 6.888 10.312 ( -1.195 -0.000 -1.457) 1.885 10.423 ( 1.221 0.000 -3.848) 4.037 10.466 ( -3.496 -0.000 -5.203) 6.269 10.649 ( 6.051 0.000 -4.933) 7.807 11.002 ( 4.952 0.000 -1.894) 5.302 11.290 ( -8.021 -0.000 13.387) 15.606 11.551 ( -10.121 -0.000 11.065) 14.995 11.599 ( -1.657 -0.000 2.179) 2.737 11.804 ( -0.095 -0.000 -0.861) 0.866 11.891 ( -2.176 -0.000 -7.846) 8.142 12.222 ( -2.035 -0.000 -5.829) 6.174 12.349 ( -4.084 -0.000 2.450) 4.762 12.743 ( 5.732 0.000 5.207) 7.744 12.806 ( 0.507 0.000 -8.052) 8.068 12.992 ( 8.055 0.000 -1.536) 8.200 13.273 ( 2.071 0.000 -9.226) 9.455 13.288 ( -6.970 -0.000 -0.353) 6.979 13.597 ( -5.646 -0.000 -8.492) 10.198 13.884 ( 13.900 0.000 2.328) 14.093 13.989 ( 0.762 0.000 5.527) 5.579 14.353 ( 14.766 0.000 2.184) 14.927 16.513 ( -11.968 -0.000 -3.463) 12.459 16.835 ( -8.848 -0.000 5.920) 10.645 17.252 ( 0.819 0.000 -4.333) 4.409 17.784 ( 12.038 0.000 16.327) 20.285 20.456 ( -1.675 -0.000 7.278) 7.468 20.966 ( -0.751 -0.000 -12.792) 12.814 21.034 ( -1.311 -0.000 2.818) 3.107 21.100 ( -0.260 -0.000 2.731) 2.743 21.295 ( -3.570 -0.000 0.494) 3.604 21.631 ( 2.581 0.000 -1.682) 3.080 22.453 ( -2.042 -0.000 4.006) 4.496 22.631 ( -0.736 -0.000 -0.733) 1.039 22.706 ( 4.191 0.000 8.509) 9.485 22.833 ( 1.252 0.000 -1.934) 2.304 23.166 ( -5.014 -0.000 -6.723) 8.387 23.379 ( 3.909 0.000 -1.021) 4.040 23.608 ( -0.146 -0.000 1.880) 1.885 23.649 ( 0.831 0.000 0.286) 0.879 23.973 ( -5.244 -0.000 10.671) 11.890 24.937 ( 4.973 0.000 -14.722) 15.539 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.775 ( -16.903 -19.034 -8.286) 26.771 0.908 ( -20.713 -15.370 3.136) 25.983 1.286 ( -20.549 -11.812 3.791) 24.003 1.428 ( -9.907 -11.697 -1.985) 15.457 1.932 ( 4.688 -6.901 7.981) 11.546 2.128 ( 3.631 -16.277 0.574) 16.687 2.242 ( 8.333 -8.747 -2.143) 12.269 2.418 ( 2.218 -3.654 0.848) 4.358 2.543 ( -1.700 -10.842 1.476) 11.073 2.754 ( -3.118 -4.978 -3.208) 6.693 2.889 ( -1.742 -2.515 -0.070) 3.060 3.137 ( -3.422 2.261 -4.185) 5.859 3.228 ( -0.776 6.725 -3.024) 7.414 3.297 ( 7.597 0.734 -2.831) 8.140 3.413 ( 7.443 1.451 3.230) 8.243 3.440 ( 1.195 -3.640 2.129) 4.383 3.695 ( 5.972 4.347 2.170) 7.699 3.810 ( 3.041 -7.997 3.532) 9.256 3.888 ( 3.736 -0.782 4.956) 6.255 3.987 ( 0.743 -1.021 4.135) 4.323 4.081 ( -1.743 5.334 -5.446) 7.820 4.309 ( -1.079 3.216 -4.702) 5.798 4.367 ( -5.470 2.074 -2.007) 6.184 4.755 ( 2.862 1.736 2.489) 4.171 4.842 ( 0.291 -0.068 -1.650) 1.677 4.954 ( -3.662 -1.024 0.988) 3.929 5.134 ( 5.959 -0.520 1.731) 6.227 5.172 ( 1.060 -4.283 3.493) 5.628 5.432 ( 0.605 4.043 5.688) 7.005 5.489 ( -0.216 3.397 -0.553) 3.448 5.589 ( -9.544 4.738 -0.963) 10.698 5.670 ( 0.611 3.249 -4.358) 5.470 5.682 ( 1.203 -3.392 -4.947) 6.117 5.769 ( -1.922 4.040 2.149) 4.963 5.871 ( -0.333 -2.288 -4.573) 5.124 6.130 ( -1.000 -3.596 6.356) 7.371 6.381 ( -4.588 -2.920 3.500) 6.467 6.432 ( -1.857 -5.719 -6.919) 9.167 6.689 ( 1.817 4.981 -11.866) 12.997 6.741 ( 6.374 1.366 -1.211) 6.630 7.553 ( -3.502 2.354 -1.122) 4.366 7.701 ( 4.783 1.612 5.885) 7.753 7.805 ( -1.606 2.797 -1.151) 3.425 7.829 ( -1.445 -7.789 -1.716) 8.106 7.917 ( 0.731 2.155 -2.122) 3.112 7.974 ( -0.492 0.164 -0.511) 0.728 8.132 ( -0.714 -0.197 -1.309) 1.504 8.363 ( 1.671 1.989 3.972) 4.746 8.769 ( -0.408 0.057 6.361) 6.375 9.132 ( 9.155 0.581 -0.241) 9.177 9.294 ( 8.480 -3.777 4.136) 10.163 9.484 ( -4.510 0.097 -1.393) 4.722 9.755 ( -9.547 1.940 3.853) 10.476 10.083 ( 9.694 -10.768 -7.938) 16.520 10.257 ( -2.834 0.537 0.670) 2.961 10.360 ( 1.961 -3.775 -2.083) 4.737 10.447 ( 0.218 -3.375 0.921) 3.506 10.550 ( 10.828 -9.896 1.498) 14.746 10.743 ( 12.399 -9.214 2.414) 15.635 11.038 ( -0.887 -1.538 -0.741) 1.924 11.242 ( -10.628 4.931 8.694) 14.590 11.444 ( -2.854 4.357 8.671) 10.115 11.612 ( -2.614 0.506 5.789) 6.372 11.796 ( 0.797 -0.653 -3.666) 3.808 11.844 ( 0.316 -0.581 -4.792) 4.837 12.169 ( -2.190 2.416 -4.132) 5.264 12.261 ( -4.844 5.102 3.926) 8.057 12.778 ( 3.193 -0.257 -3.632) 4.842 12.794 ( 3.714 5.017 1.494) 6.418 12.969 ( 6.577 5.215 -2.031) 8.636 13.146 ( -5.652 5.608 -0.434) 7.974 13.238 ( 1.948 -0.357 -8.787) 9.008 13.565 ( -5.665 -5.598 -5.884) 9.902 13.973 ( 3.412 0.378 4.408) 5.587 14.127 ( 8.049 -7.337 0.707) 10.914 14.641 ( 14.728 -13.447 1.466) 19.998 16.301 ( -12.496 11.258 -4.065) 17.304 16.697 ( -16.615 7.514 8.653) 20.183 17.260 ( 1.021 -2.219 -4.341) 4.981 17.618 ( -0.349 21.634 -2.089) 21.737 20.471 ( -1.554 3.578 12.741) 13.325 20.902 ( 1.262 0.940 -9.175) 9.309 21.044 ( -1.398 -0.242 3.017) 3.334 21.183 ( 1.658 -3.736 7.826) 8.829 21.282 ( -4.142 -1.397 -0.906) 4.464 21.811 ( 18.745 -7.915 7.525) 21.695 22.485 ( -1.320 -2.503 -0.318) 2.848 22.666 ( 0.436 -5.698 -2.326) 6.170 22.840 ( 0.744 -1.119 -2.463) 2.806 22.895 ( 5.939 -11.308 6.657) 14.403 23.110 ( -5.435 -2.308 -6.172) 8.542 23.420 ( 3.657 -1.321 -0.238) 3.896 23.611 ( -0.499 0.314 1.249) 1.381 23.655 ( 0.848 0.197 -0.066) 0.873 23.947 ( -5.652 3.354 8.266) 10.560 24.524 ( -15.329 26.064 -20.961) 36.792 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.360 ( -20.030 -0.000 -0.234) 20.032 0.460 ( -23.978 -0.000 6.097) 24.741 0.942 ( -41.534 -0.000 15.565) 44.355 1.299 ( -0.642 -0.000 1.268) 1.421 1.871 ( 0.066 0.000 1.124) 1.126 2.044 ( 8.727 0.000 8.144) 11.937 2.236 ( 11.791 0.000 -5.176) 12.877 2.391 ( -7.358 -0.000 1.197) 7.455 2.460 ( 4.481 0.000 5.093) 6.784 2.639 ( -5.276 -0.000 -4.429) 6.888 2.853 ( -2.887 -0.000 2.697) 3.951 3.128 ( 0.258 0.000 -1.856) 1.874 3.286 ( 4.000 0.000 -2.146) 4.540 3.387 ( -0.611 -0.000 -1.421) 1.547 3.441 ( 1.226 0.000 -3.505) 3.713 3.458 ( 10.444 0.000 -4.950) 11.557 3.707 ( -0.919 -0.000 6.181) 6.249 3.831 ( 7.143 0.000 0.315) 7.149 3.954 ( 3.661 0.000 4.764) 6.008 3.957 ( 3.494 0.000 -1.524) 3.812 4.104 ( -2.984 -0.000 -4.252) 5.194 4.307 ( -3.768 -0.000 -1.089) 3.922 4.365 ( -4.711 -0.000 1.515) 4.948 4.778 ( -1.264 -0.000 0.668) 1.430 4.856 ( 0.101 0.000 3.273) 3.275 4.911 ( -2.844 -0.000 2.191) 3.590 5.159 ( 1.898 0.000 0.615) 1.995 5.300 ( 15.237 0.000 9.375) 17.890 5.463 ( -2.925 -0.000 -0.358) 2.947 5.474 ( -2.826 -0.000 -4.349) 5.187 5.542 ( -6.663 -0.000 -1.229) 6.776 5.661 ( 3.754 0.000 8.746) 9.518 5.683 ( 3.807 0.000 -2.194) 4.394 5.814 ( 0.546 0.000 -4.714) 4.746 5.844 ( -2.338 -0.000 0.187) 2.345 6.059 ( -18.869 -0.000 -17.176) 25.516 6.122 ( 0.679 0.000 8.183) 8.211 6.340 ( -10.986 -0.000 4.838) 12.004 6.674 ( 3.175 0.000 -12.729) 13.119 6.815 ( 4.533 0.000 -1.468) 4.765 7.593 ( -1.500 -0.000 -1.499) 2.120 7.635 ( -0.261 -0.000 -0.963) 0.997 7.782 ( -1.539 -0.000 -2.070) 2.580 7.860 ( 0.752 0.000 5.070) 5.125 7.933 ( 1.593 0.000 -4.517) 4.789 7.951 ( 0.851 0.000 -1.647) 1.854 8.123 ( -1.680 -0.000 1.573) 2.302 8.396 ( 0.237 0.000 -0.235) 0.333 8.872 ( 5.070 0.000 14.197) 15.075 9.221 ( 6.930 0.000 2.464) 7.355 9.381 ( 10.279 0.000 4.550) 11.242 9.430 ( -0.573 -0.000 -1.478) 1.585 9.841 ( 9.877 0.000 -5.811) 11.460 9.889 ( -3.025 -0.000 9.931) 10.381 10.232 ( -6.212 -0.000 0.563) 6.237 10.301 ( -1.296 -0.000 -1.063) 1.676 10.429 ( 3.294 0.000 -4.064) 5.232 10.566 ( 10.626 0.000 21.535) 24.014 10.774 ( 12.856 0.000 16.509) 20.924 11.009 ( -0.715 -0.000 -2.493) 2.594 11.299 ( 0.590 0.000 16.506) 16.517 11.499 ( -9.280 -0.000 10.480) 13.998 11.609 ( -0.817 -0.000 3.547) 3.639 11.772 ( 1.240 0.000 -3.717) 3.919 11.835 ( 0.508 0.000 -1.775) 1.847 12.170 ( 0.513 0.000 -1.692) 1.768 12.324 ( -2.912 -0.000 2.801) 4.041 12.671 ( -3.516 -0.000 -9.587) 10.211 12.880 ( 5.404 0.000 2.988) 6.175 13.120 ( 7.953 0.000 -0.439) 7.965 13.163 ( -7.514 -0.000 0.239) 7.518 13.175 ( -2.260 -0.000 -13.985) 14.167 13.391 ( -6.525 -0.000 -3.974) 7.640 14.060 ( -0.047 -0.000 7.496) 7.496 14.103 ( 10.122 0.000 -0.979) 10.170 14.583 ( 8.610 0.000 1.937) 8.825 16.305 ( -4.626 -0.000 -6.914) 8.319 16.740 ( -10.083 -0.000 7.132) 12.350 17.222 ( 1.511 0.000 -4.558) 4.802 17.791 ( -19.490 -0.000 -53.825) 57.244 20.708 ( 8.390 0.000 20.612) 22.254 20.859 ( 1.458 0.000 -8.452) 8.577 21.072 ( 0.226 0.000 6.342) 6.346 21.232 ( -0.177 -0.000 2.239) 2.246 21.460 ( 31.077 0.000 61.444) 68.856 21.653 ( 2.170 0.000 -2.248) 3.125 22.430 ( -2.061 -0.000 -1.584) 2.599 22.605 ( -0.608 -0.000 -1.481) 1.601 22.827 ( 1.589 0.000 -2.440) 2.912 22.837 ( 1.155 0.000 2.227) 2.509 23.024 ( -3.849 -0.000 -2.147) 4.407 23.435 ( 3.079 0.000 -0.047) 3.080 23.614 ( -0.849 -0.000 0.876) 1.220 23.660 ( 0.571 0.000 -0.546) 0.790 23.967 ( -6.650 -0.000 6.514) 9.309 24.532 ( -26.872 -0.000 -61.192) 66.832 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.830 ( 10.548 0.000 20.242) 22.826 1.068 ( -16.869 -0.000 25.412) 30.502 1.334 ( -5.898 -0.000 0.954) 5.974 1.664 ( 16.581 0.000 34.040) 37.863 1.830 ( -1.144 -0.000 -4.877) 5.009 2.035 ( 0.205 0.000 -5.704) 5.708 2.090 ( 9.139 0.000 -14.793) 17.388 2.416 ( -3.929 -0.000 10.273) 10.999 2.455 ( 2.990 0.000 -3.786) 4.824 2.722 ( -7.294 -0.000 8.910) 11.515 2.954 ( -10.482 -0.000 -13.142) 16.810 2.991 ( 0.027 0.000 7.776) 7.776 3.200 ( 4.730 0.000 -6.584) 8.106 3.278 ( 0.231 0.000 -6.338) 6.342 3.384 ( 2.584 0.000 4.823) 5.472 3.582 ( 12.881 0.000 -0.665) 12.898 3.711 ( -3.804 -0.000 -3.690) 5.300 3.761 ( -5.634 -0.000 -7.583) 9.447 3.841 ( -7.684 -0.000 -1.168) 7.772 3.901 ( 4.605 0.000 -4.300) 6.300 4.148 ( 4.538 0.000 5.753) 7.328 4.239 ( -9.704 -0.000 0.578) 9.722 4.409 ( 7.410 0.000 6.340) 9.752 4.769 ( -1.664 -0.000 -5.889) 6.120 4.903 ( -1.900 -0.000 1.106) 2.198 4.958 ( 2.755 0.000 -0.890) 2.896 5.046 ( -12.957 -0.000 1.503) 13.044 5.219 ( 5.603 0.000 -2.803) 6.265 5.373 ( 7.480 0.000 -0.599) 7.504 5.426 ( 2.881 0.000 -2.127) 3.581 5.536 ( -5.197 -0.000 -1.389) 5.379 5.568 ( -4.317 -0.000 -3.192) 5.369 5.731 ( 1.680 0.000 3.878) 4.226 5.852 ( 2.190 0.000 -2.058) 3.005 5.870 ( -2.183 -0.000 7.210) 7.533 6.296 ( -10.473 -0.000 8.462) 13.465 6.309 ( 5.088 0.000 -11.046) 12.162 6.416 ( -2.423 -0.000 8.774) 9.103 6.636 ( 10.747 0.000 -7.756) 13.254 6.718 ( 9.913 0.000 -6.420) 11.810 7.510 ( -1.957 -0.000 -1.053) 2.222 7.599 ( 0.848 0.000 -3.178) 3.289 7.668 ( -3.049 -0.000 1.100) 3.241 7.812 ( 4.292 0.000 -5.507) 6.982 7.956 ( 2.594 0.000 0.726) 2.694 7.971 ( -2.261 -0.000 1.641) 2.794 8.215 ( 1.770 0.000 3.301) 3.746 8.294 ( -3.660 -0.000 -1.813) 4.084 9.302 ( 1.190 0.000 5.577) 5.702 9.323 ( -1.853 -0.000 1.583) 2.437 9.516 ( 4.828 0.000 4.111) 6.341 9.577 ( -0.818 -0.000 9.009) 9.046 9.653 ( -14.218 -0.000 -1.978) 14.355 9.952 ( 11.027 0.000 -4.523) 11.919 10.163 ( -2.462 -0.000 1.412) 2.838 10.280 ( 1.925 0.000 -1.495) 2.437 10.444 ( 4.375 0.000 0.305) 4.386 10.567 ( 2.330 0.000 -7.954) 8.288 10.936 ( 3.027 0.000 -1.377) 3.326 10.981 ( -6.859 -0.000 -1.035) 6.937 11.520 ( -19.412 -0.000 2.215) 19.538 11.553 ( -1.432 -0.000 2.337) 2.741 11.646 ( -3.820 -0.000 2.262) 4.439 11.753 ( 3.239 0.000 -2.504) 4.094 12.006 ( -0.950 -0.000 12.736) 12.771 12.237 ( 4.084 0.000 2.308) 4.691 12.303 ( -4.756 -0.000 -0.009) 4.756 12.632 ( 6.757 0.000 -15.644) 17.041 12.988 ( -5.830 -0.000 2.546) 6.362 13.106 ( 0.128 0.000 2.282) 2.286 13.127 ( 10.283 0.000 -4.112) 11.074 13.244 ( 0.638 0.000 -4.435) 4.480 13.792 ( 12.108 0.000 7.758) 14.380 14.070 ( -2.063 -0.000 -6.224) 6.557 14.536 ( 24.436 0.000 3.796) 24.729 14.630 ( -7.347 -0.000 -0.991) 7.414 15.909 ( -38.098 -0.000 4.009) 38.309 16.130 ( 13.866 0.000 -7.053) 15.556 16.819 ( -8.121 -0.000 8.411) 11.692 17.119 ( 5.764 0.000 -6.593) 8.757 20.751 ( -5.201 -0.000 -1.088) 5.313 20.765 ( 5.241 0.000 -2.385) 5.759 21.331 ( 0.764 0.000 5.121) 5.177 21.404 ( 2.746 0.000 11.880) 12.193 21.575 ( 2.815 0.000 -3.658) 4.616 21.986 ( -12.465 -0.000 -14.267) 18.946 22.565 ( 3.910 0.000 -0.960) 4.026 22.567 ( -21.188 -0.000 0.110) 21.188 22.710 ( -5.820 -0.000 1.313) 5.966 22.820 ( 4.387 0.000 -2.336) 4.971 23.333 ( 1.319 0.000 7.087) 7.208 23.483 ( 1.762 0.000 -0.081) 1.764 23.580 ( -2.841 -0.000 -0.780) 2.946 23.610 ( 3.156 0.000 -1.390) 3.449 23.800 ( 37.100 0.000 3.288) 37.245 23.877 ( -15.609 -0.000 -0.597) 15.620 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -4.026 -6.565 20.449) 21.851 1.266 ( 5.810 -13.181 14.084) 20.146 1.471 ( -6.962 -17.053 -3.781) 18.803 1.855 ( -2.145 -7.451 1.231) 7.851 2.037 ( 12.679 -8.337 17.028) 22.809 2.110 ( 0.225 -9.742 4.712) 10.824 2.172 ( 9.180 -7.474 -16.802) 20.554 2.539 ( 1.720 -7.524 -5.374) 9.405 2.587 ( 7.287 -11.244 12.681) 18.448 2.702 ( -11.038 -5.329 -2.404) 12.490 2.864 ( -6.525 -2.007 -0.471) 6.843 3.033 ( 2.826 1.308 6.875) 7.547 3.158 ( 1.951 2.225 -6.152) 6.827 3.236 ( -2.564 -0.083 -10.913) 11.210 3.418 ( -0.959 0.609 5.801) 5.911 3.572 ( -6.269 5.660 0.033) 8.446 3.608 ( -2.668 5.136 -2.584) 6.338 3.674 ( 6.907 0.061 -6.423) 9.432 3.837 ( -4.476 -4.014 0.441) 6.028 3.999 ( 4.287 -4.929 -5.384) 8.465 4.118 ( -3.956 4.992 4.695) 7.913 4.195 ( 4.594 1.799 2.968) 5.757 4.537 ( 4.774 -2.910 6.441) 8.529 4.704 ( -4.822 -2.721 -12.395) 13.576 4.815 ( -6.569 5.997 0.111) 8.896 4.954 ( 5.632 2.719 -2.041) 6.579 5.064 ( -4.655 -7.725 7.316) 11.613 5.242 ( -1.753 0.120 -0.273) 1.778 5.420 ( 0.110 1.646 1.516) 2.240 5.456 ( 3.229 -0.134 -2.025) 3.814 5.507 ( -3.012 0.351 1.584) 3.421 5.569 ( 2.370 -6.960 -6.479) 9.800 5.668 ( 4.738 10.138 1.173) 11.252 5.727 ( 3.229 5.596 -0.695) 6.498 5.962 ( -0.937 1.957 4.570) 5.059 6.108 ( -3.178 9.018 -0.180) 9.563 6.247 ( -4.021 5.071 0.593) 6.499 6.424 ( 0.968 -3.101 -4.800) 5.796 6.708 ( -2.712 -4.471 -2.274) 5.703 6.829 ( 11.792 -0.810 -4.265) 12.565 7.485 ( -1.855 -0.038 2.307) 2.960 7.578 ( -1.543 0.017 -0.976) 1.826 7.720 ( 0.586 -3.682 -3.272) 4.961 7.783 ( 3.379 4.275 -3.857) 6.676 7.968 ( -0.901 -1.309 1.285) 2.044 8.003 ( 1.328 -1.120 0.502) 1.808 8.252 ( -0.926 -1.271 0.728) 1.732 8.258 ( -0.265 -0.013 1.135) 1.166 9.183 ( -12.481 5.564 5.022) 14.559 9.339 ( -4.729 -0.521 0.269) 4.765 9.449 ( -1.789 6.480 0.440) 6.737 9.549 ( 7.647 3.959 3.833) 9.426 9.689 ( -3.150 -4.061 10.170) 11.395 10.053 ( 2.026 -5.890 -9.202) 11.112 10.203 ( 4.743 -1.390 3.168) 5.871 10.315 ( 3.222 -2.066 -2.289) 4.460 10.514 ( 4.932 -3.141 -0.569) 5.875 10.540 ( 0.025 -0.820 -8.961) 8.999 10.907 ( -6.991 1.219 -0.729) 7.134 10.951 ( 4.498 1.355 0.856) 4.775 11.321 ( -14.505 3.760 6.828) 16.467 11.568 ( 0.317 0.034 2.228) 2.251 11.618 ( -4.065 0.476 3.230) 5.213 11.776 ( 2.460 -1.094 -2.939) 3.986 12.087 ( -3.433 -0.684 9.653) 10.268 12.206 ( -3.094 5.216 -1.183) 6.178 12.283 ( 6.008 0.696 4.527) 7.555 12.623 ( 4.613 0.174 -13.401) 14.173 12.942 ( -7.167 -1.296 2.848) 7.820 13.124 ( -0.939 1.018 1.543) 2.074 13.159 ( 4.198 2.605 -2.023) 5.339 13.239 ( 2.130 -1.667 -4.272) 5.056 13.819 ( 5.575 3.190 5.090) 8.195 13.842 ( -12.210 11.873 -6.657) 18.286 14.516 ( -10.015 -1.513 3.951) 10.872 14.787 ( 2.762 -6.936 -5.109) 9.047 15.782 ( -1.958 0.850 7.086) 7.400 16.276 ( 19.097 -1.733 -5.852) 20.049 16.860 ( -4.934 -5.348 5.238) 8.965 17.158 ( 6.224 -2.119 -6.105) 8.972 20.689 ( -5.290 1.498 0.735) 5.547 20.810 ( 5.633 -0.767 -1.812) 5.967 21.277 ( 0.243 6.398 5.096) 8.184 21.371 ( -1.609 8.793 -0.687) 8.965 21.607 ( 7.909 -0.506 13.067) 15.282 21.784 ( -12.649 2.689 -9.698) 16.165 22.514 ( -6.642 -3.251 2.779) 7.900 22.636 ( -6.017 -7.659 -5.954) 11.415 22.794 ( -2.792 -10.959 1.957) 11.477 22.871 ( 0.943 -3.927 -0.564) 4.078 23.385 ( 1.343 -1.084 5.629) 5.887 23.495 ( -0.527 -0.048 -3.115) 3.160 23.553 ( -2.432 -0.591 1.570) 2.954 23.619 ( 0.300 -0.688 -1.579) 1.748 23.718 ( -10.727 2.409 -3.763) 11.620 24.024 ( 31.210 8.631 -1.257) 32.406 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.280 ( 1.889 -9.963 14.349) 17.571 1.633 ( 5.014 -15.625 -0.382) 16.415 1.699 ( -6.211 -12.457 7.524) 15.824 2.064 ( 0.385 -12.338 0.732) 12.366 2.261 ( 5.481 -5.200 -12.788) 14.853 2.329 ( 3.661 -6.723 10.202) 12.755 2.395 ( 2.916 -14.149 0.329) 14.450 2.631 ( 0.093 -7.682 -12.643) 14.794 2.762 ( -5.244 -7.239 -1.146) 9.012 2.852 ( -6.403 -2.180 3.274) 7.515 2.974 ( -0.928 -9.421 6.833) 11.675 3.062 ( 3.563 1.296 0.187) 3.796 3.108 ( 5.336 -1.200 4.083) 6.825 3.186 ( -0.335 -2.777 -9.617) 10.015 3.392 ( -6.951 -1.805 1.129) 7.270 3.461 ( -4.679 3.461 4.070) 7.102 3.536 ( -0.040 0.579 -0.130) 0.595 3.644 ( 4.596 2.631 -2.796) 5.988 3.890 ( -1.022 -2.246 1.106) 2.704 4.008 ( 2.943 1.727 -1.956) 3.933 4.093 ( 3.640 2.802 5.020) 6.804 4.254 ( 3.317 -5.234 -1.794) 6.451 4.574 ( -6.674 -1.912 -4.132) 8.079 4.637 ( -7.436 1.781 -4.279) 8.762 4.778 ( 8.448 -2.943 2.689) 9.342 4.931 ( 5.981 4.697 -2.185) 7.913 5.194 ( -5.347 1.140 0.507) 5.490 5.227 ( -4.464 -6.947 5.553) 9.951 5.354 ( -0.657 3.687 3.679) 5.250 5.413 ( -5.720 5.321 2.645) 8.247 5.482 ( 0.171 0.034 -1.050) 1.064 5.517 ( 0.131 2.044 -0.370) 2.081 5.665 ( 6.313 6.333 -4.941) 10.217 5.772 ( 6.370 -6.597 -7.077) 11.584 5.886 ( 0.995 2.413 1.285) 2.909 5.930 ( 0.551 5.773 0.907) 5.870 6.194 ( -4.157 0.652 2.509) 4.899 6.441 ( 0.892 -0.246 -4.684) 4.774 6.731 ( -2.082 -0.736 0.797) 2.348 6.852 ( 5.213 3.596 -1.450) 6.497 7.485 ( -3.861 -0.087 1.981) 4.341 7.583 ( 0.772 -0.229 2.681) 2.800 7.678 ( 2.445 7.281 -1.276) 7.786 7.732 ( 2.414 0.367 -5.839) 6.329 7.961 ( -2.435 2.510 0.913) 3.614 8.037 ( -0.373 -3.120 0.117) 3.144 8.220 ( -3.909 0.629 -0.496) 3.990 8.322 ( 3.069 -0.897 2.637) 4.144 9.013 ( -16.811 0.788 4.375) 17.389 9.259 ( -5.821 2.521 -0.095) 6.344 9.439 ( 5.882 -0.615 -0.009) 5.914 9.554 ( 10.260 5.100 2.937) 11.828 9.756 ( -7.027 -2.110 8.214) 11.014 10.110 ( 1.272 -4.950 -8.116) 9.592 10.299 ( 4.176 -3.221 -1.921) 5.613 10.354 ( 7.140 0.739 -1.077) 7.258 10.522 ( -1.496 -2.867 -7.697) 8.348 10.606 ( 4.840 -1.555 -1.636) 5.340 10.828 ( -8.199 -0.745 0.186) 8.234 10.977 ( 3.894 1.124 3.562) 5.395 11.260 ( -4.568 -1.989 5.407) 7.353 11.506 ( -2.305 5.003 0.516) 5.533 11.656 ( -0.907 -2.938 3.206) 4.442 11.802 ( 3.326 -0.774 -1.633) 3.785 11.997 ( -6.171 6.887 -0.108) 9.248 12.123 ( -2.158 2.147 4.683) 5.585 12.353 ( 4.697 0.822 5.947) 7.623 12.545 ( 2.640 3.649 -10.916) 11.809 12.961 ( -1.860 -1.712 4.806) 5.430 13.017 ( -2.833 6.201 0.160) 6.820 13.101 ( -5.355 6.439 2.199) 8.659 13.255 ( -1.331 1.030 -5.173) 5.440 13.560 ( -6.216 -0.429 -6.308) 8.866 13.871 ( 3.118 -1.748 2.265) 4.232 14.469 ( -12.615 -2.208 0.976) 12.844 14.905 ( 1.173 -5.971 0.007) 6.086 15.792 ( 4.506 3.444 4.613) 7.311 16.406 ( 16.559 1.426 -4.119) 17.123 16.951 ( -2.149 -4.767 2.966) 6.012 17.224 ( 5.768 -2.502 -5.575) 8.403 20.617 ( -5.167 2.608 3.263) 6.644 20.845 ( 4.960 1.078 -3.130) 5.963 21.190 ( -1.262 4.155 1.524) 4.602 21.253 ( 2.161 3.235 1.229) 4.080 21.602 ( -8.108 2.570 -5.507) 10.133 21.720 ( 7.769 3.515 11.487) 14.306 22.522 ( -7.049 -1.957 3.508) 8.113 22.691 ( -5.157 -7.134 -7.825) 11.778 22.963 ( -4.133 -6.500 0.720) 7.736 22.992 ( -2.234 -10.807 0.296) 11.040 23.425 ( -4.369 0.752 -4.290) 6.169 23.450 ( 1.362 -1.582 2.574) 3.314 23.586 ( 1.515 0.496 -0.611) 1.707 23.606 ( -2.630 -1.784 0.444) 3.209 23.648 ( 0.196 -1.436 -1.245) 1.911 24.029 ( 20.898 12.915 -0.328) 24.569 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 5.647 -8.067 9.845) 13.924 1.848 ( -6.751 -2.326 11.032) 13.141 1.899 ( 2.204 -9.715 0.273) 9.965 2.210 ( -4.497 -4.028 -3.189) 6.828 2.330 ( 6.671 -5.602 -11.748) 14.625 2.500 ( 3.198 -4.043 6.376) 8.199 2.580 ( -0.282 -8.779 -9.634) 13.037 2.725 ( 4.885 0.182 -2.529) 5.504 2.746 ( -3.880 1.219 -6.271) 7.474 2.848 ( -3.918 -1.513 0.835) 4.282 2.977 ( -4.634 -1.928 -0.999) 5.118 3.101 ( -6.255 -2.631 0.556) 6.809 3.187 ( 2.784 3.561 2.676) 5.253 3.201 ( -4.105 -6.552 -1.465) 7.869 3.319 ( -4.861 5.434 -2.609) 7.744 3.466 ( -1.756 -5.104 6.035) 8.096 3.683 ( 5.544 -8.004 3.102) 10.219 3.729 ( 9.599 -5.825 1.908) 11.389 3.875 ( 2.059 1.492 -4.070) 4.799 3.995 ( 5.028 4.362 2.996) 7.299 4.134 ( 1.542 0.313 7.030) 7.204 4.391 ( 4.089 -5.690 -0.082) 7.007 4.499 ( -11.026 0.006 -2.085) 11.221 4.590 ( 0.505 -2.215 -5.387) 5.847 4.834 ( 1.357 5.230 -5.688) 7.845 4.932 ( 6.080 -4.036 3.141) 7.945 5.116 ( -4.403 2.819 -0.599) 5.263 5.226 ( -9.142 -0.519 3.781) 9.907 5.282 ( 0.990 3.279 4.483) 5.642 5.423 ( -1.630 2.630 -1.159) 3.304 5.454 ( 4.325 -1.789 -3.043) 5.582 5.534 ( -1.652 -0.605 -2.101) 2.740 5.583 ( 0.135 -0.176 4.670) 4.675 5.739 ( -0.130 4.720 -1.923) 5.098 5.903 ( 3.500 -0.641 -2.809) 4.534 6.030 ( 2.590 -8.034 0.874) 8.486 6.172 ( -2.254 -1.222 2.077) 3.300 6.395 ( 0.662 3.482 -3.520) 4.995 6.719 ( -0.527 1.381 2.051) 2.528 6.809 ( 4.921 4.154 0.169) 6.442 7.440 ( -3.196 1.223 -0.904) 3.539 7.577 ( 2.569 5.125 1.633) 5.961 7.587 ( 0.052 1.754 0.311) 1.782 7.742 ( 2.767 -2.323 -3.322) 4.908 7.862 ( -4.774 4.911 1.444) 6.999 8.107 ( -0.816 -4.559 -1.610) 4.904 8.169 ( -1.192 1.623 1.230) 2.359 8.334 ( -0.581 2.433 2.882) 3.816 8.933 ( -9.983 -1.102 4.891) 11.171 9.178 ( -6.504 -1.087 -3.453) 7.444 9.478 ( 4.923 3.513 4.208) 7.368 9.594 ( 8.784 0.515 0.247) 8.802 9.719 ( -7.716 1.783 2.604) 8.337 10.194 ( 1.061 -4.663 -2.513) 5.403 10.331 ( 6.827 -1.049 -7.538) 10.224 10.459 ( 8.380 -1.569 4.222) 9.514 10.505 ( -1.138 -0.996 -9.623) 9.741 10.633 ( 3.691 0.167 -1.020) 3.833 10.802 ( -8.236 -3.162 -2.237) 9.102 11.009 ( 0.731 0.068 6.159) 6.203 11.306 ( -2.468 0.878 4.748) 5.423 11.421 ( -0.313 -0.702 -1.368) 1.569 11.686 ( 0.749 0.736 -1.260) 1.641 11.802 ( -1.088 6.719 0.637) 6.837 11.887 ( -0.282 -4.113 2.186) 4.666 12.110 ( -1.657 0.746 7.224) 7.449 12.358 ( -1.681 2.771 0.063) 3.242 12.476 ( 6.292 1.481 -6.804) 9.384 12.810 ( -9.184 11.586 -3.374) 15.165 12.892 ( 1.790 7.074 1.747) 7.503 13.025 ( -3.700 -3.354 3.316) 5.995 13.217 ( -2.940 -1.642 -3.495) 4.853 13.612 ( 2.454 -4.059 -1.627) 5.014 13.937 ( 0.107 -2.798 0.757) 2.901 14.413 ( -8.678 -1.151 1.345) 8.857 15.015 ( 0.909 -4.081 1.765) 4.538 15.782 ( 2.325 2.732 3.485) 5.002 16.463 ( 9.971 1.587 -4.144) 10.914 17.025 ( -1.947 -3.440 3.197) 5.084 17.277 ( 4.856 -1.237 -5.289) 7.286 20.544 ( -4.871 2.634 3.816) 6.725 20.819 ( 3.999 2.949 -4.524) 6.720 21.140 ( -1.733 0.693 0.266) 1.885 21.263 ( 2.454 -0.309 1.315) 2.801 21.510 ( -1.864 0.437 -2.554) 3.192 21.724 ( 5.242 6.941 8.397) 12.090 22.510 ( -7.961 -2.673 0.480) 8.411 22.738 ( -2.857 -5.247 -4.447) 7.448 22.998 ( -6.748 -2.635 -2.309) 7.603 23.157 ( 0.399 -7.572 -0.424) 7.594 23.389 ( -1.238 -1.161 -1.497) 2.264 23.497 ( 0.666 -1.158 1.343) 1.894 23.555 ( -0.084 0.851 -1.680) 1.885 23.660 ( -0.586 -2.286 2.291) 3.289 23.698 ( 1.723 -2.930 -0.529) 3.440 23.930 ( 12.330 12.102 1.236) 17.321 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.709 ( 0.241 0.555 5.687) 5.719 1.799 ( -8.632 5.619 12.118) 15.904 1.988 ( 2.561 4.673 8.978) 10.440 2.238 ( 0.898 -3.507 -2.042) 4.156 2.327 ( -1.640 4.530 -8.326) 9.620 2.510 ( -0.434 2.114 -10.209) 10.435 2.586 ( -1.132 4.693 -8.146) 9.469 2.709 ( 3.740 2.775 -1.011) 4.766 2.782 ( 3.009 -8.638 -1.008) 9.202 2.822 ( -3.329 0.815 0.881) 3.539 2.972 ( -1.865 -1.740 -7.597) 8.014 3.068 ( 1.142 -0.466 1.503) 1.944 3.129 ( 1.809 7.194 3.526) 8.213 3.271 ( -4.286 -5.684 1.599) 7.296 3.337 ( -0.195 -7.060 -0.338) 7.071 3.529 ( -2.877 -0.836 3.214) 4.394 3.808 ( 5.673 -2.229 -5.335) 8.100 3.879 ( 3.245 0.241 2.985) 4.416 3.933 ( 5.988 -2.455 2.285) 6.863 3.986 ( 1.875 1.316 6.583) 6.971 4.089 ( -0.676 7.343 2.746) 7.869 4.358 ( -3.598 8.832 7.863) 12.360 4.491 ( -3.284 -1.462 -3.655) 5.127 4.611 ( 2.775 -2.959 -4.956) 6.404 4.768 ( 1.266 -0.504 -6.576) 6.716 4.971 ( -5.659 0.159 -3.090) 6.449 5.120 ( 1.291 -2.501 3.997) 4.889 5.208 ( -5.578 -4.340 1.651) 7.258 5.291 ( 3.378 0.734 1.439) 3.744 5.384 ( 2.534 0.317 0.649) 2.635 5.399 ( -0.908 4.116 -1.106) 4.358 5.546 ( -3.339 -2.482 -1.253) 4.345 5.627 ( -0.479 0.311 3.059) 3.112 5.705 ( 0.248 -2.018 1.008) 2.270 5.932 ( 5.258 -0.454 -6.229) 8.164 6.168 ( -1.424 -4.911 2.151) 5.547 6.220 ( -1.502 -3.546 0.848) 3.943 6.312 ( 0.508 2.838 -2.583) 3.870 6.691 ( -1.280 1.218 -0.279) 1.789 6.813 ( 5.643 1.347 2.786) 6.436 7.408 ( -1.223 -1.408 -2.041) 2.764 7.537 ( 1.889 1.466 0.633) 2.474 7.584 ( 0.882 -1.551 -0.625) 1.891 7.712 ( -4.977 4.642 3.044) 7.455 7.843 ( 2.359 -5.698 -4.509) 7.640 8.121 ( -1.478 -0.313 0.315) 1.543 8.191 ( 0.635 0.462 0.287) 0.836 8.287 ( -2.563 0.599 4.276) 5.021 8.907 ( -2.810 1.283 5.394) 6.216 9.164 ( -5.828 -4.675 -4.559) 8.752 9.452 ( 2.726 5.504 6.087) 8.648 9.591 ( -0.689 3.723 0.654) 3.842 9.686 ( 0.211 -1.774 -0.203) 1.798 10.204 ( -3.527 0.664 -1.746) 3.991 10.424 ( 13.033 3.659 -3.729) 14.041 10.432 ( 0.492 -1.833 -4.480) 4.865 10.540 ( 1.694 1.054 -2.513) 3.209 10.670 ( 5.445 -0.216 -1.303) 5.603 10.780 ( -5.484 -4.001 -2.843) 7.359 11.051 ( -3.007 -1.987 6.442) 7.382 11.240 ( -4.258 2.462 2.108) 5.351 11.480 ( 2.367 -2.069 -1.740) 3.593 11.609 ( 1.083 4.224 -2.730) 5.145 11.764 ( -0.390 -0.993 4.278) 4.409 11.994 ( 1.509 -3.819 2.983) 5.076 12.128 ( 1.813 3.539 7.333) 8.341 12.290 ( -2.397 -1.844 -4.112) 5.105 12.428 ( -8.374 3.929 0.623) 9.271 12.616 ( 3.459 1.339 -6.996) 7.919 12.818 ( 6.294 4.653 1.679) 8.005 13.070 ( -1.856 -2.323 2.306) 3.762 13.208 ( -0.823 -0.513 -2.396) 2.585 13.670 ( 1.256 -1.121 -1.578) 2.307 13.977 ( -1.936 -2.040 0.050) 2.813 14.386 ( -2.558 0.148 2.478) 3.564 15.076 ( 1.644 -0.081 1.565) 2.271 15.782 ( -2.245 -1.282 2.745) 3.771 16.489 ( 2.383 -1.529 -4.472) 5.293 17.081 ( -2.231 -2.932 2.576) 4.495 17.290 ( 4.021 0.748 -5.511) 6.863 20.491 ( -3.998 0.825 4.056) 5.755 20.781 ( 3.398 1.831 -3.906) 5.491 21.118 ( -1.736 0.435 0.324) 1.819 21.296 ( 0.638 -0.751 1.706) 1.970 21.488 ( 0.601 1.931 -2.809) 3.461 21.710 ( 5.256 1.286 7.312) 9.097 22.495 ( -4.935 -2.072 -2.186) 5.782 22.786 ( -0.154 -2.568 -0.521) 2.625 22.946 ( -3.646 1.109 -4.456) 5.863 23.248 ( 1.068 -0.955 0.253) 1.455 23.395 ( -0.081 0.550 -1.281) 1.397 23.505 ( 0.901 1.425 1.399) 2.191 23.551 ( 0.051 -1.226 -1.179) 1.702 23.700 ( 0.183 -0.411 0.712) 0.843 23.740 ( -0.387 -1.462 -0.196) 1.525 23.855 ( 1.814 2.039 2.347) 3.599 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -6.281 11.225 7.888) 15.089 1.650 ( -9.387 10.654 20.180) 24.675 1.927 ( -1.711 11.851 9.459) 15.259 2.086 ( -1.372 12.270 -6.207) 13.819 2.227 ( 5.942 7.130 -2.330) 9.570 2.353 ( -1.329 6.380 -11.987) 13.644 2.517 ( 3.616 0.276 -0.754) 3.704 2.631 ( 1.129 7.198 -4.033) 8.328 2.806 ( 1.265 0.531 2.356) 2.726 2.876 ( 2.857 -2.545 -2.313) 4.471 3.012 ( 2.338 9.833 3.317) 10.637 3.022 ( -3.967 -7.092 -6.954) 10.695 3.171 ( 3.792 -1.790 3.214) 5.283 3.279 ( 0.226 0.278 -0.994) 1.057 3.431 ( -0.160 -0.334 0.691) 0.784 3.558 ( -0.772 -3.850 0.148) 3.930 3.802 ( 1.431 5.906 -4.739) 7.706 3.845 ( -0.066 4.201 -3.821) 5.679 3.875 ( -0.739 2.787 4.440) 5.294 4.014 ( -3.006 2.327 6.663) 7.671 4.082 ( 2.442 -3.254 3.202) 5.177 4.263 ( 5.655 4.343 5.586) 9.058 4.349 ( -6.285 7.201 -5.806) 11.183 4.670 ( 0.211 -2.258 -1.370) 2.649 4.819 ( 8.276 -2.714 -0.786) 8.746 4.900 ( -6.083 -0.195 -2.592) 6.615 5.158 ( -2.859 -2.228 2.294) 4.289 5.286 ( -0.922 -3.830 4.114) 5.696 5.341 ( 2.396 -2.670 -1.672) 3.958 5.354 ( -0.107 -2.905 -2.687) 3.959 5.415 ( -1.256 0.884 1.249) 1.980 5.539 ( -6.249 -0.164 0.372) 6.263 5.614 ( 1.104 1.075 -0.958) 1.814 5.760 ( 0.981 -2.156 0.062) 2.369 5.926 ( 6.196 2.038 -7.045) 9.601 6.169 ( -5.243 1.663 -4.980) 7.420 6.257 ( -3.153 -4.452 3.233) 6.341 6.353 ( 5.005 -3.711 -0.602) 6.260 6.657 ( -2.528 0.772 0.333) 2.664 6.841 ( 2.911 1.342 1.024) 3.365 7.472 ( -0.034 -6.981 -1.838) 7.219 7.527 ( -2.966 0.772 -0.045) 3.065 7.646 ( 2.524 -3.312 -0.167) 4.168 7.676 ( -0.203 -3.471 0.945) 3.603 7.958 ( 3.275 -5.215 -3.127) 6.907 8.081 ( -1.037 5.273 -0.560) 5.403 8.153 ( -2.123 -0.022 2.468) 3.256 8.335 ( -0.329 -2.725 2.992) 4.060 8.905 ( 0.708 1.327 8.069) 8.208 9.179 ( 2.326 -1.356 -5.582) 6.198 9.403 ( -0.864 3.476 7.066) 7.922 9.544 ( -2.580 0.706 1.868) 3.262 9.709 ( -2.972 -1.421 0.523) 3.336 10.126 ( -4.154 2.762 -1.256) 5.144 10.345 ( 5.776 5.685 -2.752) 8.559 10.400 ( -0.209 5.164 -6.234) 8.097 10.580 ( 6.363 -1.212 -1.783) 6.718 10.669 ( 5.723 4.563 2.010) 7.590 10.838 ( -2.882 -6.950 -7.663) 10.739 11.108 ( -5.675 -3.569 9.503) 11.630 11.180 ( -3.519 1.208 1.306) 3.943 11.474 ( 4.848 2.109 -4.636) 7.031 11.620 ( -0.391 -3.431 2.319) 4.160 11.809 ( 0.274 -1.462 1.994) 2.487 12.032 ( 5.569 7.123 -0.799) 9.077 12.076 ( 0.532 0.706 3.198) 3.318 12.283 ( -8.858 0.513 2.921) 9.341 12.431 ( -0.747 -10.903 5.191) 12.099 12.642 ( 4.871 -2.782 -5.573) 7.907 12.859 ( 8.741 -0.227 2.406) 9.069 13.101 ( 0.401 -0.808 0.618) 1.094 13.188 ( 1.742 1.794 -2.574) 3.589 13.654 ( -0.646 2.149 -2.857) 3.633 13.982 ( -3.421 -1.350 -0.682) 3.741 14.380 ( 3.697 2.788 2.686) 5.353 15.056 ( 2.741 4.724 0.460) 5.481 15.825 ( -7.382 -6.370 1.837) 9.922 16.514 ( -6.210 -4.976 -3.999) 8.906 17.118 ( -2.768 -2.416 -0.713) 3.743 17.261 ( 3.679 2.479 -6.094) 7.537 20.504 ( -2.636 -2.679 5.970) 7.055 20.767 ( 2.718 0.568 -3.354) 4.354 21.109 ( -0.475 -0.227 2.432) 2.489 21.303 ( -1.195 0.885 -0.035) 1.487 21.419 ( -0.312 3.480 0.542) 3.536 21.857 ( 6.543 -7.292 4.271) 10.688 22.479 ( -0.250 -0.003 -2.690) 2.701 22.826 ( 4.015 0.428 2.806) 4.917 22.861 ( 0.078 3.463 -4.823) 5.938 23.196 ( -2.716 5.640 -1.716) 6.490 23.339 ( 4.536 5.962 0.205) 7.494 23.497 ( 1.133 1.329 0.969) 1.998 23.570 ( -0.041 -1.271 -0.992) 1.613 23.682 ( 1.606 1.978 0.546) 2.605 23.769 ( -7.366 -4.036 -3.317) 9.030 23.888 ( -6.433 -5.517 2.926) 8.966 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( -6.542 14.232 16.553) 22.789 1.437 ( -4.549 21.493 11.827) 24.950 1.574 ( -14.926 15.304 19.063) 28.642 1.825 ( 4.251 18.385 4.091) 19.308 2.147 ( 10.498 7.416 -9.051) 15.721 2.173 ( -0.668 5.440 -9.732) 11.169 2.427 ( -1.906 11.829 -1.223) 12.044 2.539 ( 2.789 3.865 5.418) 7.217 2.800 ( 1.586 10.086 -0.592) 10.228 2.853 ( 3.138 3.417 2.429) 5.237 2.939 ( -3.966 6.246 -2.674) 7.867 2.994 ( 4.117 -6.178 -1.533) 7.580 3.153 ( -2.965 1.196 2.685) 4.175 3.331 ( 4.305 0.789 -0.904) 4.469 3.370 ( -4.300 2.336 1.125) 5.021 3.608 ( -0.415 -3.311 1.999) 3.890 3.676 ( -0.777 5.572 -8.360) 10.077 3.841 ( 2.134 -1.298 -11.685) 11.949 3.869 ( 2.729 -3.492 2.761) 5.221 3.990 ( -0.202 1.468 3.933) 4.203 4.104 ( -9.346 3.925 -3.204) 10.631 4.162 ( 1.571 -1.045 -0.377) 1.924 4.331 ( 7.744 1.558 7.814) 11.111 4.727 ( 0.952 -5.099 -2.014) 5.564 4.858 ( -3.490 -0.063 1.621) 3.849 4.938 ( 5.232 -2.022 -0.444) 5.627 5.207 ( 1.523 -2.299 1.091) 2.966 5.284 ( -2.361 4.360 -0.256) 4.965 5.372 ( -6.043 -0.445 -3.071) 6.793 5.413 ( -1.398 -3.045 1.151) 3.543 5.442 ( 0.655 -6.403 0.126) 6.438 5.490 ( -2.026 -1.606 1.522) 3.000 5.625 ( 0.091 -3.265 -1.789) 3.724 5.755 ( 3.846 3.315 -3.764) 6.321 5.925 ( 3.566 -0.285 -1.266) 3.794 6.045 ( -9.024 0.943 -4.968) 10.344 6.331 ( -4.091 -3.794 1.244) 5.716 6.449 ( 8.912 -1.184 -6.224) 10.934 6.637 ( -1.026 0.528 3.987) 4.150 6.820 ( 1.722 3.286 0.165) 3.714 7.487 ( -1.985 0.497 0.297) 2.068 7.613 ( -0.985 -7.855 -0.882) 7.966 7.732 ( 1.636 -3.617 -1.102) 4.120 7.752 ( -0.389 -3.364 -4.424) 5.571 7.970 ( 1.450 4.594 -0.345) 4.830 8.014 ( -1.264 0.613 1.103) 1.786 8.157 ( 1.836 0.443 2.091) 2.818 8.376 ( -2.260 -1.243 0.226) 2.589 8.981 ( 4.933 -1.802 11.192) 12.363 9.219 ( 10.159 -0.044 -2.872) 10.558 9.383 ( -2.223 0.124 2.460) 3.318 9.542 ( -5.805 -2.906 5.915) 8.782 9.690 ( -7.159 -0.166 2.237) 7.502 10.042 ( 1.604 3.806 -1.633) 4.441 10.288 ( 4.164 3.132 -7.993) 9.541 10.311 ( 0.396 2.264 2.632) 3.494 10.527 ( 4.694 7.061 -3.989) 9.370 10.665 ( 0.081 2.514 1.451) 2.904 10.887 ( 0.768 -4.467 -9.234) 10.286 11.097 ( -8.885 -0.390 1.107) 8.962 11.256 ( -0.972 -6.402 12.122) 13.743 11.491 ( 4.114 -2.728 -4.496) 6.677 11.673 ( -2.322 -1.230 2.299) 3.492 11.814 ( -0.216 1.969 -1.688) 2.603 11.966 ( 8.398 3.679 0.882) 9.211 12.099 ( 3.043 0.487 4.902) 5.790 12.267 ( -8.981 -4.026 4.145) 10.679 12.677 ( 3.430 -8.854 -6.723) 11.634 12.788 ( 3.746 -11.987 9.079) 15.497 12.960 ( 11.470 0.569 4.763) 12.432 13.110 ( 2.731 1.338 -0.822) 3.150 13.149 ( 2.634 2.285 -1.868) 3.956 13.532 ( -1.606 7.919 -4.789) 9.393 13.979 ( -3.321 -2.557 -1.560) 4.472 14.372 ( 7.589 5.025 3.981) 9.935 14.961 ( 3.254 7.888 -1.177) 8.614 15.901 ( -10.035 -8.825 0.328) 13.368 16.506 ( -16.305 -5.994 -4.513) 17.948 17.094 ( -5.370 0.422 -5.278) 7.541 17.200 ( 3.561 3.597 -6.973) 8.616 20.611 ( -1.114 -6.513 7.293) 9.841 20.762 ( 2.064 0.465 -3.125) 3.774 21.169 ( 1.560 -4.281 5.654) 7.261 21.247 ( -2.772 1.834 -0.965) 3.461 21.386 ( 0.366 1.907 4.575) 4.970 22.075 ( -1.545 -11.294 -3.296) 11.866 22.476 ( 6.371 1.774 0.382) 6.624 22.781 ( 6.242 4.494 -5.216) 9.293 22.890 ( 13.256 2.283 6.488) 14.935 23.010 ( -3.809 8.812 -2.756) 9.988 23.266 ( 4.211 7.094 1.913) 8.468 23.484 ( 1.184 1.286 0.482) 1.813 23.585 ( -0.423 -1.083 -0.785) 1.402 23.660 ( -2.026 1.320 -2.129) 3.222 23.691 ( -12.627 -0.573 -5.915) 13.956 23.955 ( -10.819 -6.644 3.801) 13.253 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.945 ( -0.718 25.869 11.008) 28.122 1.161 ( -15.484 7.496 21.899) 27.848 1.455 ( -1.523 8.617 32.065) 33.238 1.550 ( 5.630 17.969 10.422) 21.522 1.977 ( -0.094 10.010 -9.491) 13.795 2.051 ( 6.389 2.544 -11.429) 13.339 2.211 ( 2.488 9.277 -4.496) 10.605 2.463 ( -2.877 6.235 7.450) 10.132 2.580 ( -1.083 10.067 -4.244) 10.979 2.750 ( -2.278 5.170 8.993) 10.620 2.948 ( 0.639 -1.259 4.914) 5.113 3.089 ( -5.683 -3.791 -6.754) 9.607 3.157 ( 0.218 -1.268 -1.796) 2.209 3.301 ( 4.526 -0.722 -1.482) 4.817 3.336 ( 1.094 2.406 -1.831) 3.216 3.556 ( 7.114 4.918 -4.571) 9.782 3.687 ( -2.050 -4.608 -1.131) 5.169 3.785 ( -6.466 -3.758 -8.752) 11.512 3.891 ( 1.528 2.915 -4.519) 5.591 3.989 ( -1.001 1.923 1.139) 2.449 4.073 ( 4.646 -0.127 4.871) 6.733 4.211 ( -4.970 -6.737 -1.517) 8.508 4.377 ( 3.975 2.438 5.003) 6.839 4.796 ( -1.925 -0.837 -1.528) 2.596 4.881 ( 2.859 -3.909 -0.637) 4.885 4.948 ( -1.561 1.451 -1.164) 2.428 5.151 ( -6.191 2.434 0.389) 6.664 5.245 ( -0.499 3.724 -0.617) 3.808 5.323 ( 4.183 -0.827 -1.767) 4.616 5.437 ( 1.233 1.156 -0.425) 1.742 5.547 ( -3.177 -3.655 1.822) 5.175 5.586 ( 0.698 -7.232 -1.174) 7.360 5.670 ( -1.142 3.214 -2.883) 4.466 5.720 ( -1.083 -7.598 -1.046) 7.746 5.957 ( -4.190 2.062 1.380) 4.869 6.068 ( 6.963 -10.346 2.753) 12.771 6.331 ( -7.545 -2.913 2.132) 8.364 6.455 ( 4.797 4.069 -6.632) 9.141 6.643 ( 9.936 4.964 1.203) 11.171 6.757 ( 0.118 3.802 -1.777) 4.199 7.489 ( -0.492 -1.767 0.046) 1.835 7.648 ( -3.874 0.928 -2.143) 4.524 7.747 ( 0.277 3.264 -3.439) 4.749 7.779 ( 1.918 -2.973 -3.985) 5.329 7.922 ( 1.814 0.796 2.138) 2.914 8.004 ( -0.847 1.055 1.230) 1.828 8.184 ( 2.109 0.095 2.510) 3.280 8.340 ( -3.795 0.853 -1.644) 4.223 9.153 ( 4.397 -5.483 10.177) 12.368 9.299 ( 6.560 -0.922 -0.136) 6.626 9.425 ( 3.147 -3.213 1.006) 4.609 9.603 ( 0.513 2.941 9.790) 10.235 9.636 ( -13.347 -7.197 0.238) 15.165 9.988 ( 7.430 5.684 -3.634) 10.035 10.222 ( -2.635 2.082 -3.187) 4.630 10.293 ( 0.926 2.184 1.235) 2.675 10.439 ( 4.760 3.782 -1.655) 6.300 10.603 ( 0.682 2.167 -4.560) 5.095 10.915 ( 1.849 -1.398 -3.985) 4.610 11.038 ( -7.754 -0.739 -0.579) 7.811 11.450 ( -3.765 -9.580 5.911) 11.870 11.576 ( -2.474 -5.686 -2.452) 6.668 11.652 ( -3.932 0.686 2.452) 4.684 11.763 ( 2.732 2.099 -3.156) 4.672 12.000 ( 4.722 3.550 8.404) 10.272 12.168 ( 2.454 -2.408 3.249) 4.730 12.294 ( -7.139 -4.153 2.513) 8.633 12.719 ( 3.028 1.324 -15.290) 15.643 12.961 ( 2.103 -1.086 3.576) 4.288 13.089 ( 4.929 1.345 -1.144) 5.235 13.110 ( 2.282 0.598 -0.324) 2.381 13.304 ( -3.403 -3.524 -1.092) 5.019 13.394 ( 26.002 -3.970 13.789) 29.698 14.019 ( -1.756 -5.511 -3.179) 6.600 14.376 ( 10.101 4.873 7.405) 13.439 14.806 ( 2.659 10.370 -2.930) 11.099 15.980 ( -10.608 -9.201 -1.242) 14.097 16.357 ( -27.521 0.270 -10.220) 29.358 16.937 ( -8.959 6.717 0.155) 11.198 17.135 ( 4.486 2.554 -6.812) 8.547 20.741 ( 3.477 -1.617 -1.049) 3.976 20.760 ( -2.646 -2.292 0.351) 3.518 21.233 ( -0.957 -2.654 4.036) 4.925 21.366 ( 5.667 -4.151 9.074) 11.476 21.399 ( -1.643 -6.165 2.573) 6.879 22.125 ( -11.576 -4.896 -12.981) 18.069 22.518 ( 2.616 -0.590 0.901) 2.829 22.753 ( 6.283 2.449 -6.463) 9.340 22.822 ( -2.066 6.447 -0.925) 6.833 22.961 ( 6.435 12.399 -5.512) 15.018 23.214 ( 11.048 0.389 12.032) 16.339 23.486 ( 4.382 1.445 0.701) 4.667 23.517 ( -5.321 0.663 1.034) 5.461 23.594 ( -1.216 -0.857 -0.666) 1.630 23.651 ( 0.761 0.700 -0.868) 1.350 23.966 ( -14.011 -3.646 2.502) 14.693 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.145 ( -8.930 -0.000 -5.007) 10.238 1.207 ( 10.537 0.000 12.773) 16.558 1.216 ( 5.053 0.000 14.198) 15.071 1.716 ( -7.221 -0.000 -0.145) 7.223 2.023 ( -6.096 -0.000 11.283) 12.824 2.107 ( 12.349 0.000 -19.980) 23.488 2.129 ( 9.517 0.000 6.940) 11.779 2.425 ( -1.840 -0.000 -16.921) 17.021 2.577 ( 0.353 0.000 0.044) 0.356 2.635 ( 11.228 0.000 18.987) 22.058 2.813 ( -7.132 -0.000 9.404) 11.803 3.113 ( 1.803 0.000 -8.324) 8.517 3.130 ( 1.071 0.000 6.456) 6.545 3.170 ( -4.716 -0.000 -7.262) 8.659 3.428 ( -4.727 -0.000 -0.604) 4.766 3.570 ( -4.959 -0.000 -7.273) 8.803 3.629 ( -0.932 -0.000 3.873) 3.983 3.738 ( -3.752 -0.000 -1.566) 4.066 3.741 ( 6.119 0.000 -2.120) 6.476 3.950 ( 4.161 0.000 -3.380) 5.361 4.175 ( -0.380 -0.000 6.890) 6.901 4.284 ( 4.500 0.000 4.243) 6.185 4.511 ( -12.713 -0.000 -13.813) 18.773 4.591 ( 3.763 0.000 7.845) 8.700 4.906 ( -4.658 -0.000 2.598) 5.333 4.917 ( 2.939 0.000 -0.153) 2.943 5.029 ( 3.304 0.000 -0.836) 3.408 5.221 ( -2.991 -0.000 -1.465) 3.331 5.451 ( -1.451 -0.000 4.254) 4.494 5.452 ( -1.842 -0.000 -5.975) 6.253 5.467 ( 0.867 0.000 -2.295) 2.454 5.534 ( 5.922 0.000 2.470) 6.417 5.821 ( 5.128 0.000 2.535) 5.721 5.888 ( 5.532 0.000 -4.666) 7.237 5.916 ( -3.454 -0.000 8.814) 9.467 6.171 ( -3.924 -0.000 -11.354) 12.013 6.217 ( -8.241 -0.000 6.800) 10.684 6.461 ( -2.273 -0.000 6.903) 7.268 6.586 ( -0.996 -0.000 -5.994) 6.076 6.893 ( 15.837 0.000 -12.607) 20.243 7.480 ( -1.665 -0.000 2.430) 2.946 7.574 ( 0.570 0.000 -3.219) 3.269 7.658 ( -0.154 -0.000 2.130) 2.135 7.836 ( 4.942 0.000 -5.135) 7.127 7.933 ( -2.602 -0.000 -0.788) 2.719 8.010 ( 1.596 0.000 1.349) 2.090 8.218 ( -3.319 -0.000 -1.303) 3.566 8.292 ( 2.992 0.000 3.693) 4.753 9.166 ( -20.608 -0.000 4.564) 21.107 9.246 ( -8.075 -0.000 0.797) 8.114 9.499 ( -1.095 -0.000 -2.634) 2.852 9.671 ( 6.850 0.000 6.162) 9.214 9.685 ( -0.319 -0.000 9.315) 9.321 9.934 ( -0.826 -0.000 -8.768) 8.807 10.268 ( 8.352 0.000 0.664) 8.378 10.305 ( 2.422 0.000 -1.137) 2.675 10.479 ( -0.701 -0.000 -10.443) 10.466 10.507 ( 2.614 0.000 -0.006) 2.614 10.865 ( -6.312 -0.000 -0.100) 6.312 11.024 ( 6.432 0.000 2.869) 7.043 11.277 ( -14.324 -0.000 10.483) 17.750 11.550 ( -5.214 -0.000 6.828) 8.591 11.604 ( -3.888 -0.000 2.425) 4.582 11.764 ( 0.999 0.000 -2.753) 2.928 12.148 ( 1.375 0.000 10.131) 10.224 12.264 ( 2.333 0.000 -0.346) 2.358 12.328 ( 4.224 0.000 -0.164) 4.228 12.625 ( 10.211 0.000 -11.571) 15.432 12.823 ( -14.472 -0.000 1.246) 14.525 13.177 ( 0.299 0.000 -7.177) 7.183 13.188 ( 5.337 0.000 1.865) 5.654 13.207 ( 2.564 0.000 -2.369) 3.490 13.829 ( -14.880 -0.000 -10.350) 18.125 13.869 ( -5.213 -0.000 5.515) 7.589 14.431 ( -10.285 -0.000 -4.081) 11.065 14.582 ( -17.781 -0.000 4.085) 18.244 15.955 ( 26.164 0.000 -0.083) 26.164 16.438 ( 23.014 0.000 1.745) 23.080 16.800 ( -4.394 -0.000 8.215) 9.316 17.163 ( 6.981 0.000 -5.813) 9.085 20.653 ( -5.077 -0.000 -0.507) 5.103 20.844 ( 5.922 0.000 -0.957) 5.999 21.393 ( -0.355 -0.000 5.000) 5.012 21.443 ( -2.150 -0.000 -2.120) 3.019 21.655 ( -10.645 -0.000 -9.292) 14.130 21.728 ( 7.612 0.000 12.626) 14.743 22.323 ( -12.468 -0.000 7.421) 14.510 22.643 ( 2.138 0.000 1.831) 2.815 22.645 ( -4.154 -0.000 1.790) 4.524 22.822 ( -2.541 -0.000 -2.504) 3.568 23.408 ( 0.695 0.000 4.237) 4.293 23.450 ( -5.049 -0.000 -6.408) 8.158 23.545 ( 0.463 0.000 2.880) 2.917 23.609 ( 0.243 0.000 -0.881) 0.914 23.642 ( -4.421 -0.000 -4.662) 6.425 24.341 ( 27.095 0.000 -7.463) 28.105 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( -4.931 -15.189 -11.075) 19.434 1.308 ( 8.372 -6.814 15.141) 18.595 1.566 ( 7.029 -12.326 10.948) 17.922 1.787 ( -5.111 -11.527 -1.044) 12.652 2.095 ( -3.219 -6.804 -16.305) 17.959 2.170 ( 0.197 -10.857 7.270) 13.068 2.255 ( 5.852 -5.184 -3.430) 8.538 2.434 ( 6.890 -7.714 -11.973) 15.822 2.650 ( 3.998 -3.680 3.960) 6.723 2.789 ( -6.870 0.199 7.815) 10.407 2.884 ( -1.439 -4.681 10.606) 11.682 3.042 ( -2.411 -2.573 -10.906) 11.462 3.066 ( -4.460 2.064 -5.685) 7.514 3.245 ( 10.094 -1.349 9.303) 13.793 3.336 ( -4.609 2.548 1.839) 5.578 3.526 ( -1.229 -0.943 -3.767) 4.073 3.584 ( -1.789 7.008 1.851) 7.466 3.705 ( 3.799 -0.200 3.168) 4.951 3.807 ( -1.233 -3.682 -0.286) 3.893 3.990 ( 0.916 -2.594 -4.277) 5.085 4.193 ( -2.906 -0.659 -4.137) 5.098 4.255 ( 5.690 5.483 4.427) 9.057 4.405 ( -7.297 -2.503 -4.373) 8.868 4.654 ( 0.120 1.384 2.256) 2.650 4.852 ( 5.820 0.959 3.528) 6.873 5.037 ( 4.334 -2.738 0.357) 5.139 5.064 ( -0.505 -4.602 0.911) 4.719 5.170 ( -5.306 0.726 -1.184) 5.485 5.363 ( -7.090 2.261 -3.575) 8.256 5.430 ( -1.742 3.007 6.227) 7.131 5.485 ( -1.137 -1.105 0.262) 1.607 5.615 ( 3.586 0.913 -1.413) 3.961 5.740 ( 3.609 5.572 -1.400) 6.785 5.834 ( 7.484 6.188 -1.509) 9.827 5.977 ( -0.892 1.827 0.480) 2.089 6.021 ( -4.331 4.820 -0.236) 6.484 6.201 ( -1.055 0.304 0.424) 1.177 6.418 ( -1.049 1.415 2.484) 3.045 6.635 ( -2.341 -5.760 -2.208) 6.598 6.941 ( 9.388 1.277 -8.251) 12.564 7.487 ( -0.608 0.292 3.262) 3.331 7.588 ( 2.383 -1.841 0.861) 3.132 7.706 ( 1.031 -2.035 -0.978) 2.482 7.798 ( 2.079 4.456 -3.106) 5.816 7.937 ( -0.767 -1.502 -1.587) 2.316 8.024 ( -0.956 0.136 0.777) 1.239 8.180 ( -3.306 -0.168 -0.862) 3.421 8.344 ( 2.955 -0.839 3.097) 4.362 8.935 ( -19.799 4.721 5.506) 21.085 9.222 ( -7.724 -1.772 -0.689) 7.955 9.455 ( 0.617 0.521 -3.747) 3.833 9.721 ( -1.046 0.329 6.419) 6.512 9.743 ( 6.667 2.603 6.345) 9.565 9.954 ( -0.016 -7.033 -9.673) 11.959 10.296 ( 3.413 0.272 -1.058) 3.583 10.378 ( 3.472 -3.650 -1.585) 5.281 10.412 ( -0.081 0.192 -9.575) 9.577 10.578 ( 1.332 -4.523 0.839) 4.789 10.791 ( -6.424 2.252 1.096) 6.895 11.073 ( 5.042 2.409 4.869) 7.412 11.236 ( -4.100 -0.202 8.239) 9.205 11.559 ( -4.611 1.083 4.563) 6.577 11.599 ( -4.320 -2.686 5.389) 7.410 11.764 ( -1.650 -2.129 -3.282) 4.246 12.114 ( 0.940 8.930 0.519) 8.994 12.178 ( 0.117 4.434 0.061) 4.436 12.426 ( 3.784 -0.860 3.381) 5.147 12.598 ( 4.711 3.883 -6.392) 8.839 12.826 ( -5.717 -8.550 -0.653) 10.307 13.079 ( -4.417 4.392 0.003) 6.229 13.187 ( 3.704 2.208 -5.542) 7.022 13.296 ( 4.611 -0.636 2.146) 5.126 13.497 ( -12.247 9.079 -11.865) 19.319 13.857 ( -5.405 -0.808 4.731) 7.229 14.314 ( -12.087 -1.939 -0.589) 12.256 14.637 ( -15.081 -13.971 1.859) 20.642 16.082 ( 24.849 9.238 -0.573) 26.516 16.610 ( 18.451 3.666 4.190) 19.273 16.865 ( -1.626 -4.601 5.658) 7.472 17.208 ( 6.629 -1.623 -5.344) 8.668 20.610 ( -4.797 0.360 0.726) 4.865 20.885 ( 5.174 0.488 -1.793) 5.497 21.316 ( -1.299 7.642 2.689) 8.205 21.346 ( -0.507 4.994 -1.474) 5.232 21.533 ( -6.755 0.357 -5.953) 9.011 21.895 ( 8.562 -1.008 14.797) 17.125 22.388 ( -9.360 -8.783 5.519) 13.972 22.498 ( -9.572 2.382 -4.297) 10.759 22.786 ( -7.477 -8.565 -0.315) 11.374 22.840 ( 2.021 -5.208 0.457) 5.605 23.372 ( -2.652 0.055 -6.814) 7.312 23.442 ( 0.406 -1.256 2.059) 2.446 23.568 ( -1.976 -0.397 1.244) 2.368 23.613 ( 1.581 -0.484 1.342) 2.130 23.629 ( 3.964 -0.363 -0.689) 4.040 24.405 ( 19.840 9.405 -6.871) 23.006 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 3.915 -16.819 2.492) 17.448 1.630 ( 4.722 -11.853 9.056) 15.646 1.826 ( 1.559 -4.899 7.763) 9.311 1.983 ( -3.538 -14.439 -5.850) 15.976 2.110 ( -4.534 -9.450 -17.959) 20.794 2.382 ( 3.632 -7.456 -8.702) 12.021 2.455 ( 5.077 -9.650 1.577) 11.017 2.632 ( 5.468 -10.429 -0.789) 11.802 2.712 ( -9.579 0.284 3.390) 10.165 2.805 ( 2.808 -4.620 2.692) 6.040 2.854 ( -6.605 0.251 -3.416) 7.441 3.014 ( -4.994 -4.010 -0.492) 6.423 3.035 ( -4.714 -1.286 -5.866) 7.634 3.272 ( -5.412 1.363 1.532) 5.787 3.388 ( 1.931 5.583 0.677) 5.946 3.470 ( 0.871 0.931 13.694) 13.754 3.622 ( 7.418 -6.732 5.256) 11.312 3.739 ( 5.059 0.718 -2.670) 5.765 3.846 ( -2.744 -2.457 -3.269) 4.925 4.049 ( 2.044 -4.435 1.306) 5.055 4.184 ( 0.715 -3.954 -4.067) 5.717 4.289 ( 6.301 0.236 0.631) 6.337 4.388 ( -3.681 -2.995 -1.433) 4.957 4.583 ( -0.058 3.171 -3.554) 4.763 4.922 ( 0.379 2.867 0.291) 2.907 5.030 ( 9.204 5.255 1.106) 10.656 5.101 ( -4.390 0.003 2.421) 5.013 5.193 ( -5.394 -0.327 4.543) 7.060 5.266 ( -6.671 -5.154 -2.729) 8.861 5.416 ( 1.323 -0.113 5.546) 5.703 5.489 ( -3.021 2.086 0.133) 3.674 5.507 ( 1.659 3.012 0.026) 3.438 5.681 ( 1.572 8.219 -4.227) 9.375 5.782 ( 2.354 -0.818 -5.469) 6.010 5.915 ( 1.565 2.440 -0.861) 3.024 6.003 ( 3.137 -0.192 5.997) 6.771 6.181 ( -0.541 2.324 2.531) 3.479 6.409 ( -1.215 -0.224 -1.150) 1.688 6.701 ( -2.108 -3.277 0.387) 3.916 6.920 ( 5.504 3.491 -3.909) 7.600 7.473 ( -0.627 3.256 3.474) 4.803 7.655 ( 3.725 0.971 3.231) 5.026 7.681 ( 1.579 2.482 -3.748) 4.764 7.728 ( 1.830 2.858 -2.014) 3.947 7.931 ( -1.909 3.061 0.630) 3.662 7.997 ( -3.023 -2.392 -0.697) 3.917 8.170 ( -2.480 -0.611 0.744) 2.661 8.378 ( -0.395 1.206 2.472) 2.779 8.802 ( -13.311 -3.624 5.836) 14.980 9.153 ( -3.968 2.207 -3.487) 5.725 9.480 ( -0.002 -3.881 -3.488) 5.218 9.705 ( -4.176 1.910 3.438) 5.736 9.761 ( 8.793 5.105 4.403) 11.080 10.072 ( 2.941 -8.685 -7.322) 11.734 10.312 ( 4.100 -0.443 -5.404) 6.797 10.373 ( -3.542 -3.335 -7.487) 8.929 10.492 ( 6.448 -4.338 -0.682) 7.801 10.660 ( -4.737 -3.992 0.458) 6.212 10.706 ( -1.350 3.139 2.186) 4.056 11.079 ( 1.023 2.273 6.154) 6.640 11.301 ( 3.027 -2.132 4.779) 6.046 11.471 ( -3.145 5.933 2.300) 7.098 11.651 ( -5.095 -3.490 5.471) 8.250 11.771 ( -8.305 -4.012 -3.914) 10.019 11.962 ( 6.851 7.506 -3.159) 10.642 12.119 ( -2.063 1.704 2.249) 3.495 12.400 ( -3.750 3.749 1.702) 5.569 12.552 ( 6.809 3.761 -4.325) 8.901 12.881 ( -9.462 6.452 -3.914) 12.102 12.960 ( 1.093 -0.564 -1.459) 1.908 13.109 ( 1.825 8.124 4.271) 9.358 13.149 ( -0.712 -0.306 -6.596) 6.641 13.526 ( 3.928 -6.841 -1.567) 8.043 13.865 ( -5.851 -2.747 3.472) 7.337 14.287 ( -9.092 -4.423 0.437) 10.121 14.782 ( -13.647 -13.097 1.611) 18.983 16.066 ( 19.989 12.337 1.740) 23.554 16.640 ( 10.996 7.800 1.977) 13.626 16.959 ( -1.768 -3.788 4.429) 6.090 17.266 ( 5.470 -1.686 -4.940) 7.560 20.559 ( -4.683 1.618 2.027) 5.353 20.878 ( 3.791 2.475 -4.428) 6.333 21.189 ( -1.331 5.252 1.494) 5.620 21.285 ( 0.592 1.006 -0.951) 1.506 21.479 ( -1.580 -0.778 -2.542) 3.093 21.964 ( 5.063 8.795 9.589) 13.962 22.355 ( -11.656 -4.802 -2.964) 12.950 22.551 ( -5.005 -9.486 1.889) 10.890 22.849 ( -5.805 -5.933 -2.239) 8.598 23.006 ( 1.744 -8.977 1.225) 9.227 23.342 ( -0.666 -1.198 -4.399) 4.607 23.479 ( 0.190 -1.609 0.646) 1.744 23.553 ( -1.570 0.318 0.233) 1.619 23.636 ( -0.653 -1.118 0.627) 1.438 23.703 ( 6.059 -0.521 3.989) 7.273 24.291 ( 13.427 14.087 -4.482) 19.970 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 9.905 -1.272 4.351) 10.893 1.840 ( -9.484 -0.675 12.446) 15.662 1.942 ( 0.540 -13.213 3.155) 13.595 2.110 ( -2.786 -7.297 -7.070) 10.536 2.228 ( -0.805 -10.100 -6.758) 12.179 2.428 ( 0.176 0.662 -11.718) 11.738 2.578 ( 5.996 -3.691 -8.688) 11.183 2.683 ( -4.137 -2.554 0.396) 4.878 2.729 ( -0.302 -1.214 -3.544) 3.758 2.870 ( -2.879 -1.354 -1.394) 3.473 2.891 ( 1.461 1.075 3.734) 4.152 3.016 ( -3.800 -6.850 2.040) 8.094 3.109 ( -3.354 -6.072 2.189) 7.274 3.218 ( -2.408 -1.864 -2.748) 4.102 3.294 ( 2.022 3.874 7.294) 8.503 3.522 ( 0.092 0.263 6.034) 6.041 3.758 ( 0.998 -2.554 -6.304) 6.875 3.858 ( -3.355 -2.411 0.620) 4.178 3.900 ( 8.601 -8.867 7.958) 14.694 4.065 ( 0.133 1.763 -1.853) 2.561 4.229 ( -1.391 6.581 -3.091) 7.403 4.336 ( 1.565 -7.696 -0.569) 7.874 4.492 ( -0.876 -0.604 5.750) 5.847 4.543 ( 8.309 -4.140 -10.792) 14.235 4.775 ( -2.783 5.449 -3.863) 7.236 4.973 ( -0.047 3.878 -0.180) 3.883 5.094 ( -8.080 0.458 2.831) 8.574 5.183 ( 4.928 0.640 5.630) 7.509 5.303 ( -3.737 -1.521 7.120) 8.183 5.409 ( -0.738 1.889 -1.035) 2.277 5.485 ( 5.300 2.218 -4.359) 7.212 5.551 ( 6.454 -0.542 -0.519) 6.498 5.590 ( -5.811 -2.846 5.929) 8.776 5.706 ( -0.751 4.437 -3.775) 5.874 5.914 ( 1.976 -1.079 -5.640) 6.072 6.089 ( 1.678 -1.722 4.875) 5.435 6.162 ( -2.284 -1.636 3.695) 4.642 6.382 ( 0.753 2.195 -1.582) 2.809 6.703 ( -2.975 1.160 0.406) 3.219 6.888 ( 3.729 2.245 -2.277) 4.912 7.409 ( -1.156 2.831 1.233) 3.297 7.615 ( 1.833 4.118 -1.900) 4.892 7.626 ( 3.850 4.423 0.952) 5.941 7.756 ( 2.667 -2.635 -1.581) 4.069 7.807 ( -3.027 6.034 1.822) 6.992 8.055 ( -2.942 -4.102 0.118) 5.049 8.175 ( -1.196 -1.796 0.858) 2.322 8.313 ( -5.055 3.372 3.406) 6.966 8.887 ( -3.522 -6.840 8.080) 11.157 9.074 ( -0.317 1.418 -3.742) 4.014 9.507 ( -3.444 -2.083 -3.109) 5.086 9.627 ( -3.294 4.247 1.904) 5.702 9.758 ( 7.374 4.371 1.361) 8.680 10.189 ( 0.484 -1.932 -0.166) 1.999 10.359 ( 7.521 -5.052 -10.592) 13.938 10.391 ( -2.256 -4.901 -6.348) 8.331 10.584 ( -4.432 -1.554 -2.644) 5.390 10.671 ( 6.014 -3.436 -2.493) 7.361 10.703 ( 1.400 1.941 5.268) 5.786 11.077 ( -1.794 1.334 7.202) 7.541 11.294 ( -2.973 5.938 2.094) 6.963 11.419 ( 0.544 -2.258 -0.089) 2.324 11.684 ( 1.705 1.592 -3.703) 4.377 11.737 ( -8.781 -4.031 3.899) 10.419 11.936 ( 2.393 -0.058 0.619) 2.472 12.132 ( -2.024 -4.070 2.194) 5.047 12.291 ( -2.900 5.051 0.822) 5.882 12.476 ( -2.778 6.741 -1.428) 7.429 12.647 ( -0.369 4.223 -6.241) 7.544 12.945 ( 3.560 3.394 -5.475) 7.360 13.107 ( 7.110 1.548 5.126) 8.901 13.168 ( 1.282 -2.799 -1.246) 3.321 13.633 ( 1.049 -2.946 -0.736) 3.212 13.887 ( -7.345 -3.384 2.468) 8.455 14.329 ( -3.464 -4.878 2.768) 6.592 14.896 ( -13.101 -10.586 0.656) 16.856 15.998 ( 15.594 12.322 3.056) 20.108 16.558 ( 4.715 7.213 -2.207) 8.895 17.022 ( -3.206 -2.790 4.640) 6.292 17.301 ( 4.312 -0.413 -5.190) 6.760 20.501 ( -3.934 1.719 2.829) 5.142 20.829 ( 3.100 2.750 -4.995) 6.490 21.126 ( -1.010 1.423 1.026) 2.024 21.289 ( 0.002 -0.751 0.910) 1.180 21.489 ( 1.179 -1.117 -3.204) 3.592 21.823 ( -3.289 6.918 1.596) 7.824 22.400 ( -1.487 -4.577 1.257) 4.974 22.698 ( -1.012 -7.143 4.489) 8.497 22.878 ( -2.890 -2.782 -3.642) 5.418 23.192 ( 2.116 -7.749 1.391) 8.152 23.342 ( -1.901 -1.787 -3.020) 3.991 23.511 ( 0.243 -1.293 0.224) 1.334 23.537 ( -1.105 0.292 0.246) 1.169 23.651 ( -1.826 -1.343 0.254) 2.280 23.762 ( 3.233 0.712 3.048) 4.500 24.089 ( 7.181 14.387 -2.586) 16.286 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -10.522 7.236 12.834) 18.105 1.870 ( 2.293 3.487 6.974) 8.127 2.064 ( -5.658 1.803 -1.601) 6.150 2.197 ( 2.300 0.090 2.601) 3.474 2.309 ( 2.618 -1.897 -3.978) 5.126 2.334 ( 3.169 0.682 -7.083) 7.790 2.615 ( 2.464 3.580 -2.682) 5.107 2.682 ( 3.573 -2.871 -8.042) 9.257 2.769 ( -4.937 1.031 -1.313) 5.212 2.847 ( -0.233 0.197 2.860) 2.877 2.856 ( 0.605 -5.204 -2.367) 5.749 3.128 ( 1.430 -3.816 1.924) 4.507 3.192 ( 4.124 -1.912 3.034) 5.465 3.272 ( -3.174 -1.394 4.605) 5.764 3.357 ( 5.041 -3.644 -0.702) 6.259 3.544 ( -1.265 -0.183 4.181) 4.372 3.756 ( -1.057 -1.159 -8.682) 8.822 3.850 ( -5.791 -0.100 -0.528) 5.816 3.979 ( -0.682 1.718 -1.631) 2.465 4.035 ( -6.409 6.648 -3.350) 9.823 4.172 ( 8.234 -2.204 7.685) 11.476 4.321 ( -7.359 5.442 -4.592) 10.240 4.456 ( 4.076 3.229 5.146) 7.316 4.653 ( 1.875 0.278 0.836) 2.071 4.755 ( 3.753 -6.176 -9.383) 11.843 4.923 ( 2.122 2.855 4.894) 6.050 5.085 ( -2.671 -3.244 0.652) 4.253 5.225 ( -0.317 -1.535 2.046) 2.577 5.307 ( -2.871 0.089 -0.298) 2.888 5.393 ( -4.340 -0.272 3.901) 5.842 5.442 ( 7.877 5.712 0.637) 9.751 5.536 ( -0.912 2.359 2.424) 3.503 5.632 ( 1.926 -1.025 -2.792) 3.543 5.716 ( 0.983 -3.417 0.925) 3.674 5.899 ( -0.701 -0.778 -7.601) 7.672 6.117 ( -4.840 -2.595 0.757) 5.544 6.238 ( 1.558 -0.485 2.614) 3.081 6.344 ( 3.332 0.469 -0.600) 3.418 6.641 ( -4.137 1.279 -0.086) 4.331 6.864 ( 0.373 0.809 -3.315) 3.433 7.391 ( 0.369 -1.359 0.115) 1.413 7.554 ( 0.855 2.950 0.194) 3.078 7.608 ( 1.580 0.010 -2.555) 3.004 7.704 ( 0.458 3.471 3.851) 5.204 7.861 ( 3.449 -6.030 -1.544) 7.116 8.107 ( -1.004 -3.550 1.855) 4.129 8.140 ( -5.295 3.490 -0.030) 6.341 8.293 ( -1.860 -2.346 2.304) 3.778 8.999 ( 2.878 0.610 11.214) 11.594 9.092 ( 1.226 -4.814 -1.719) 5.257 9.473 ( -8.691 -1.069 -3.605) 9.470 9.535 ( 1.445 5.462 3.823) 6.822 9.733 ( 1.904 2.515 -0.874) 3.274 10.166 ( -0.444 3.181 3.570) 4.802 10.408 ( 0.407 -0.372 -3.409) 3.453 10.438 ( 3.205 0.365 -11.714) 12.150 10.570 ( -1.224 -5.863 -6.597) 8.910 10.673 ( 0.311 1.352 -1.305) 1.905 10.786 ( 7.239 0.657 2.410) 7.657 11.096 ( -1.877 -0.302 9.714) 9.898 11.178 ( -3.804 2.635 -0.813) 4.698 11.468 ( -1.487 -3.302 -1.111) 3.788 11.633 ( 4.793 2.451 -2.109) 5.781 11.781 ( -2.101 -1.553 2.094) 3.348 11.987 ( -6.149 -6.215 1.788) 8.923 12.159 ( -1.211 3.764 -5.019) 6.390 12.259 ( -0.946 -2.477 4.331) 5.078 12.324 ( -3.441 1.600 4.963) 6.248 12.624 ( 3.287 -1.065 -3.389) 4.840 12.905 ( 3.141 0.047 -4.035) 5.114 13.178 ( 11.118 1.728 2.175) 11.460 13.216 ( 2.998 -0.204 -0.303) 3.020 13.660 ( 0.798 -0.157 -1.400) 1.619 13.881 ( -9.897 -2.789 1.249) 10.358 14.421 ( 2.275 -3.039 4.182) 5.648 14.954 ( -12.487 -7.254 -1.214) 14.492 15.914 ( 9.211 9.771 4.511) 14.165 16.454 ( 0.321 3.769 -6.020) 7.109 17.058 ( -3.772 -1.892 3.538) 5.507 17.297 ( 3.733 1.304 -5.859) 7.069 20.479 ( -2.742 -0.656 4.802) 5.568 20.789 ( 2.503 1.381 -4.198) 5.079 21.117 ( 0.063 0.137 1.843) 1.849 21.301 ( -1.236 -0.039 0.432) 1.310 21.472 ( 0.746 2.115 -2.354) 3.251 21.754 ( -4.607 -3.653 -1.831) 6.158 22.480 ( 3.396 -1.767 2.902) 4.803 22.844 ( 3.505 -4.165 6.562) 8.526 22.871 ( 0.396 -0.354 -4.037) 4.072 23.268 ( 1.236 2.769 -0.891) 3.160 23.372 ( -1.010 -4.352 -0.630) 4.512 23.518 ( -0.268 0.712 0.804) 1.107 23.540 ( -0.487 -1.384 -1.248) 1.926 23.658 ( -3.544 -1.839 -0.515) 4.026 23.756 ( 0.822 2.816 0.721) 3.021 23.886 ( 0.238 8.937 -0.776) 8.974 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -15.545 10.589 14.948) 24.025 1.807 ( -2.160 13.064 10.424) 16.852 1.868 ( 1.240 8.786 -0.910) 8.920 2.129 ( 2.485 10.283 5.422) 11.888 2.250 ( 4.504 5.935 -4.617) 8.765 2.381 ( 8.594 6.153 -0.013) 10.570 2.524 ( -5.974 5.038 -1.651) 7.987 2.613 ( 7.312 0.260 -2.687) 7.794 2.829 ( 0.074 -5.360 -2.072) 5.747 2.905 ( 0.377 -0.095 0.660) 0.766 2.940 ( 2.005 -2.277 -0.740) 3.123 3.115 ( 3.070 9.691 7.069) 12.382 3.219 ( -1.794 4.791 2.598) 5.738 3.294 ( 1.230 -4.757 -0.742) 4.969 3.419 ( -0.385 0.893 -3.491) 3.623 3.562 ( -0.071 -1.851 0.800) 2.017 3.676 ( -6.822 3.344 -7.915) 10.971 3.773 ( -0.619 0.842 -8.068) 8.135 3.869 ( -2.795 2.028 -0.224) 3.460 3.976 ( -2.492 -2.751 -1.507) 4.006 4.087 ( -5.448 7.367 3.588) 9.840 4.273 ( 3.923 3.958 1.021) 5.666 4.481 ( 5.607 0.869 6.507) 8.633 4.657 ( 0.648 -0.125 0.223) 0.696 4.791 ( 0.293 -2.248 -6.562) 6.943 4.988 ( 7.148 -0.580 1.500) 7.327 5.144 ( -0.777 -4.682 -0.203) 4.750 5.259 ( -4.280 -2.284 -0.785) 4.914 5.288 ( -2.442 -1.640 1.692) 3.393 5.358 ( -5.093 0.325 3.797) 6.361 5.453 ( 0.785 2.176 3.826) 4.471 5.497 ( 3.071 0.136 2.594) 4.022 5.624 ( 0.370 2.917 -2.147) 3.641 5.764 ( 3.284 -1.527 -4.778) 5.996 5.887 ( -1.441 -3.063 -5.638) 6.576 6.061 ( -2.317 6.260 -4.814) 8.230 6.233 ( -3.169 -2.467 3.033) 5.033 6.439 ( 6.615 -4.000 -5.929) 9.742 6.617 ( -3.315 -1.928 4.517) 5.926 6.839 ( -0.751 -0.350 -3.217) 3.322 7.473 ( 1.202 -6.211 0.207) 6.330 7.514 ( 0.007 2.386 3.023) 3.851 7.640 ( -0.920 -4.203 -4.367) 6.131 7.706 ( 2.125 -0.831 0.265) 2.297 7.987 ( 0.340 -3.368 0.585) 3.436 8.029 ( -2.321 2.573 -0.697) 3.535 8.178 ( 2.176 -1.702 2.530) 3.746 8.323 ( -2.895 -2.039 0.018) 3.541 9.080 ( 4.567 0.375 12.650) 13.454 9.210 ( 4.789 -5.364 -0.583) 7.214 9.388 ( -8.855 -0.671 -1.067) 8.944 9.458 ( -2.845 4.649 0.905) 5.525 9.715 ( 0.110 0.793 4.347) 4.420 10.132 ( 3.096 3.883 3.244) 5.931 10.333 ( -0.645 4.530 -5.372) 7.057 10.381 ( 2.176 1.622 -3.436) 4.379 10.619 ( -0.429 -1.854 -11.021) 11.184 10.647 ( 0.164 0.502 -3.558) 3.597 10.821 ( 5.676 0.709 2.726) 6.336 11.053 ( -6.909 2.405 2.274) 7.660 11.215 ( -0.038 -3.512 6.844) 7.692 11.482 ( 1.156 -0.567 -3.503) 3.732 11.670 ( 3.622 0.103 1.968) 4.123 11.783 ( -2.265 -1.979 -1.843) 3.527 12.020 ( -1.638 0.129 -3.248) 3.640 12.099 ( -6.116 -3.732 3.331) 7.902 12.210 ( 0.015 2.348 2.731) 3.601 12.493 ( 1.123 -10.175 1.464) 10.341 12.704 ( 3.302 -5.482 3.580) 7.333 12.957 ( 1.026 -4.108 0.092) 4.235 13.206 ( 1.898 2.765 -0.283) 3.366 13.244 ( 11.062 2.432 -0.729) 11.350 13.645 ( 5.866 3.654 -1.965) 7.185 13.846 ( -11.265 -3.300 -0.585) 11.753 14.507 ( 5.580 0.324 5.342) 7.732 14.938 ( -10.126 -3.018 -4.095) 11.332 15.853 ( 0.706 4.434 6.949) 8.273 16.359 ( -1.830 1.598 -9.326) 9.637 17.056 ( -3.877 0.301 1.096) 4.040 17.257 ( 3.790 2.812 -6.520) 8.049 20.536 ( -2.105 -4.178 7.314) 8.682 20.776 ( 2.804 0.305 -3.533) 4.520 21.142 ( 0.792 -1.422 2.560) 3.033 21.260 ( -2.571 2.098 -1.745) 3.749 21.446 ( 1.664 1.150 3.286) 3.858 21.815 ( -6.969 -8.681 -5.939) 12.617 22.541 ( 2.839 0.319 3.605) 4.600 22.839 ( 2.554 1.612 -4.545) 5.457 23.015 ( 9.028 -2.954 7.302) 11.981 23.163 ( 2.249 7.478 -1.202) 7.900 23.401 ( 2.859 2.799 -0.942) 4.111 23.501 ( -0.781 0.661 0.822) 1.313 23.545 ( -2.036 -1.239 -2.391) 3.376 23.628 ( -4.163 1.854 -0.512) 4.586 23.701 ( 0.108 2.730 -0.151) 2.737 23.788 ( -6.764 -1.642 0.121) 6.962 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -16.603 12.014 16.623) 26.388 1.490 ( 3.085 20.322 5.982) 21.408 1.765 ( 0.630 10.425 5.721) 11.908 1.977 ( 1.146 11.544 12.897) 17.346 2.105 ( 5.416 11.567 2.227) 12.965 2.273 ( 12.110 12.474 -4.685) 18.005 2.357 ( -2.527 7.148 -4.673) 8.906 2.679 ( 6.810 6.252 4.446) 10.258 2.762 ( -0.234 11.347 -2.359) 11.592 2.862 ( -2.372 4.914 2.034) 5.823 2.940 ( -2.035 -2.009 1.424) 3.195 3.001 ( -2.449 4.837 0.516) 5.446 3.143 ( -0.078 1.589 -1.044) 1.903 3.310 ( -1.342 1.041 -6.403) 6.624 3.382 ( 1.037 0.301 5.776) 5.876 3.551 ( -4.354 -1.345 -4.477) 6.388 3.629 ( 3.878 -2.747 -3.054) 5.649 3.639 ( -8.973 0.991 -8.732) 12.559 3.913 ( 1.021 -0.085 -3.489) 3.636 4.001 ( -0.370 -0.779 5.059) 5.132 4.030 ( -2.019 -5.287 -0.304) 5.668 4.195 ( 3.631 6.172 -0.405) 7.172 4.530 ( 5.402 3.838 7.324) 9.877 4.696 ( -1.304 -4.786 -1.464) 5.172 4.848 ( 5.443 -4.265 -4.778) 8.405 4.927 ( -5.400 3.877 -9.150) 11.310 5.214 ( -4.042 6.739 5.893) 9.822 5.252 ( -4.699 -1.452 3.629) 6.112 5.319 ( 2.470 -7.116 4.590) 8.821 5.399 ( -2.076 -4.219 2.531) 5.340 5.479 ( 2.889 -2.972 0.992) 4.262 5.527 ( -0.189 1.052 0.286) 1.106 5.606 ( 3.181 -3.668 -2.077) 5.281 5.766 ( 4.877 6.827 -9.789) 12.893 5.902 ( -3.586 -2.453 -1.251) 4.522 5.935 ( 0.563 -4.980 -1.941) 5.374 6.257 ( -5.946 -1.212 2.171) 6.445 6.476 ( 3.998 -0.179 -8.885) 9.745 6.706 ( 2.110 -3.252 4.681) 6.078 6.821 ( 0.589 1.224 -2.092) 2.494 7.494 ( -0.310 1.542 3.198) 3.564 7.592 ( -1.892 -3.367 0.361) 3.879 7.678 ( -0.773 -5.504 -4.290) 7.021 7.744 ( 2.817 -1.328 -4.303) 5.312 7.986 ( -1.733 -1.622 1.679) 2.907 8.015 ( 1.284 3.402 0.762) 3.716 8.226 ( 2.767 0.114 2.843) 3.969 8.314 ( -3.665 0.124 -1.434) 3.937 9.159 ( -2.463 -0.520 9.659) 9.981 9.354 ( -0.156 -0.892 -0.308) 0.957 9.359 ( 2.975 -4.005 0.729) 5.042 9.392 ( -4.449 -4.862 0.176) 6.593 9.724 ( -1.380 2.856 10.468) 10.938 10.116 ( 7.428 3.243 -1.081) 8.177 10.231 ( -0.881 2.740 -4.072) 4.987 10.357 ( 1.253 2.214 -1.834) 3.136 10.545 ( 2.516 3.535 -4.521) 6.266 10.605 ( 0.956 1.902 -5.896) 6.268 10.887 ( 3.491 -2.015 -0.315) 4.044 10.966 ( -7.446 0.806 0.090) 7.490 11.299 ( -5.656 -3.773 7.012) 9.767 11.513 ( 3.182 -2.791 -3.333) 5.388 11.650 ( -3.081 2.115 2.886) 4.722 11.790 ( 1.556 0.276 -3.575) 3.909 12.052 ( 1.476 -3.130 2.494) 4.265 12.144 ( -6.823 -5.854 0.093) 8.990 12.218 ( 1.783 1.411 7.926) 8.246 12.627 ( 2.109 -5.024 -10.698) 12.006 12.904 ( 0.294 -7.040 7.370) 10.197 13.050 ( -2.030 -5.913 2.540) 6.748 13.151 ( -1.604 2.474 0.829) 3.063 13.266 ( 4.824 1.647 -3.288) 6.066 13.650 ( 16.157 3.234 2.215) 16.626 13.821 ( -10.931 -5.638 -3.922) 12.909 14.555 ( 3.008 2.585 8.066) 8.988 14.867 ( -2.118 1.110 -7.561) 7.931 15.821 ( -10.368 0.240 9.297) 13.928 16.269 ( 4.602 2.604 -11.637) 12.782 16.984 ( -4.463 4.179 0.606) 6.145 17.198 ( 4.751 3.370 -6.499) 8.727 20.648 ( -3.727 -5.311 6.040) 8.864 20.786 ( 4.840 0.288 -2.669) 5.535 21.199 ( -1.365 -0.709 0.706) 1.693 21.228 ( -0.525 -5.369 1.650) 5.642 21.496 ( 4.977 0.179 9.023) 10.306 21.849 ( -10.990 -6.749 -8.969) 15.709 22.548 ( -0.889 1.450 3.295) 3.708 22.797 ( 1.922 2.742 -6.466) 7.282 22.965 ( -0.218 8.473 1.969) 8.701 23.116 ( -3.824 9.231 -7.749) 12.644 23.351 ( 5.409 2.111 6.717) 8.879 23.519 ( -1.482 0.331 -2.310) 2.765 23.566 ( 3.521 -0.402 3.087) 4.700 23.591 ( 8.916 -2.274 2.003) 9.417 23.668 ( 1.003 -0.121 0.389) 1.082 23.785 ( -7.677 -4.233 -1.922) 8.975 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.895 ( -4.287 -0.000 -13.988) 14.630 1.319 ( -2.424 -0.000 -3.487) 4.247 1.564 ( 14.422 0.000 12.417) 19.031 1.649 ( -1.655 -0.000 -8.125) 8.292 1.993 ( 3.846 0.000 -9.640) 10.379 2.023 ( -10.746 -0.000 15.493) 18.855 2.262 ( 8.021 0.000 -4.758) 9.326 2.359 ( 8.763 0.000 -9.854) 13.187 2.685 ( 8.495 0.000 -0.704) 8.524 2.820 ( -7.109 -0.000 14.395) 16.055 2.822 ( -11.502 -0.000 -1.557) 11.607 2.980 ( 1.119 0.000 -2.130) 2.406 3.005 ( -5.099 -0.000 -3.764) 6.338 3.309 ( 1.289 0.000 1.224) 1.777 3.420 ( 9.334 0.000 7.693) 12.095 3.428 ( -3.576 -0.000 -5.729) 6.753 3.666 ( -1.460 -0.000 1.664) 2.214 3.758 ( 5.025 0.000 6.347) 8.095 3.772 ( 2.117 0.000 -1.803) 2.781 3.928 ( -3.434 -0.000 -7.092) 7.879 4.083 ( -8.796 -0.000 -7.196) 11.364 4.339 ( -2.216 -0.000 1.201) 2.521 4.395 ( 5.017 0.000 2.030) 5.413 4.705 ( 0.774 0.000 6.225) 6.273 4.892 ( -0.376 -0.000 4.205) 4.222 4.970 ( 4.004 0.000 -4.330) 5.898 5.082 ( 3.895 0.000 1.166) 4.065 5.119 ( -5.315 -0.000 -1.259) 5.462 5.355 ( -5.093 -0.000 1.564) 5.328 5.463 ( 0.039 0.000 -1.559) 1.559 5.489 ( -0.633 -0.000 8.219) 8.244 5.638 ( 4.106 0.000 -1.277) 4.300 5.847 ( -8.681 -0.000 3.472) 9.350 5.927 ( 4.354 0.000 -5.554) 7.057 6.003 ( 7.926 0.000 3.401) 8.625 6.005 ( -3.007 -0.000 -5.688) 6.434 6.172 ( -1.759 -0.000 1.921) 2.605 6.482 ( -3.966 -0.000 6.200) 7.360 6.530 ( 1.043 0.000 -4.332) 4.456 6.973 ( 10.628 0.000 -13.802) 17.420 7.518 ( 1.555 0.000 4.670) 4.922 7.568 ( 2.085 0.000 -1.493) 2.565 7.710 ( 2.713 0.000 3.215) 4.207 7.874 ( 5.115 0.000 -3.598) 6.253 7.879 ( -2.246 -0.000 -0.825) 2.392 8.012 ( -2.306 -0.000 -0.249) 2.319 8.156 ( -2.614 -0.000 -0.724) 2.712 8.373 ( 1.857 0.000 2.762) 3.328 8.862 ( -21.162 -0.000 7.181) 22.347 9.097 ( -8.830 -0.000 -0.976) 8.884 9.428 ( -3.226 -0.000 -6.050) 6.856 9.761 ( 0.891 0.000 5.333) 5.407 9.793 ( 0.837 0.000 -11.340) 11.371 9.872 ( 4.713 0.000 5.353) 7.132 10.276 ( -5.400 -0.000 -0.178) 5.403 10.377 ( 7.299 0.000 -3.454) 8.075 10.420 ( 6.303 0.000 -7.275) 9.626 10.511 ( -3.711 -0.000 1.033) 3.852 10.772 ( -6.464 -0.000 2.799) 7.044 11.167 ( 3.424 0.000 3.153) 4.654 11.245 ( -5.133 -0.000 11.871) 12.934 11.537 ( -1.130 -0.000 3.127) 3.325 11.580 ( -2.107 -0.000 3.088) 3.739 11.701 ( -5.141 -0.000 -3.147) 6.028 12.198 ( -0.196 -0.000 0.754) 0.779 12.362 ( 4.262 0.000 -6.208) 7.531 12.393 ( 6.151 0.000 4.891) 7.858 12.599 ( -11.097 -0.000 2.904) 11.470 12.711 ( 9.918 0.000 -6.932) 12.100 13.069 ( -4.409 -0.000 -5.080) 6.727 13.225 ( 2.849 0.000 -2.799) 3.994 13.314 ( 7.576 0.000 0.130) 7.577 13.472 ( -11.424 -0.000 -9.108) 14.611 13.810 ( -7.180 -0.000 4.195) 8.315 14.224 ( -10.524 -0.000 -2.303) 10.773 14.326 ( -16.217 -0.000 4.976) 16.963 16.396 ( 26.681 0.000 -3.986) 26.977 16.829 ( 8.170 0.000 7.669) 11.205 16.847 ( 4.748 0.000 10.371) 11.406 17.221 ( 6.589 0.000 -5.293) 8.452 20.576 ( -4.042 -0.000 0.565) 4.081 20.930 ( 5.281 0.000 -1.361) 5.454 21.374 ( -2.108 -0.000 -3.108) 3.755 21.374 ( -6.419 -0.000 -1.938) 6.705 21.470 ( -1.681 -0.000 -2.717) 3.195 21.986 ( 4.214 0.000 11.824) 12.552 22.282 ( -5.312 -0.000 12.291) 13.390 22.447 ( -16.172 -0.000 -10.075) 19.054 22.605 ( -2.882 -0.000 1.690) 3.341 22.816 ( 2.958 0.000 0.789) 3.062 23.320 ( -0.318 -0.000 -7.471) 7.478 23.435 ( -0.490 -0.000 0.414) 0.642 23.565 ( -1.299 -0.000 2.284) 2.628 23.610 ( 0.045 0.000 0.658) 0.659 23.702 ( 8.262 0.000 5.812) 10.102 24.600 ( 16.003 0.000 -9.815) 18.774 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( -2.688 -22.406 -6.471) 23.476 1.514 ( 1.225 -21.036 -3.366) 21.339 1.635 ( 0.184 -7.484 -12.007) 14.150 1.776 ( 7.618 -4.872 2.181) 9.302 1.980 ( 2.409 0.955 7.856) 8.272 2.164 ( -2.695 -10.496 -0.551) 10.851 2.346 ( 6.543 -5.466 -4.270) 9.536 2.470 ( 2.879 -9.280 -2.606) 10.059 2.659 ( -13.020 1.732 -3.616) 13.624 2.763 ( 2.976 -1.254 -2.226) 3.922 2.818 ( -3.615 -0.619 2.067) 4.210 2.947 ( 2.020 1.489 0.115) 2.513 2.989 ( -5.474 -0.796 3.304) 6.443 3.265 ( -3.125 2.647 1.322) 4.303 3.501 ( 2.487 -4.231 -1.267) 5.068 3.522 ( 2.958 -2.621 0.906) 4.054 3.617 ( -0.087 4.993 12.556) 13.513 3.749 ( -2.771 1.699 -7.620) 8.284 3.806 ( 2.074 -0.255 2.085) 2.953 3.946 ( 5.078 -7.583 -3.145) 9.653 4.058 ( -0.445 -3.405 -4.097) 5.346 4.314 ( -4.084 -0.821 -1.922) 4.587 4.410 ( 5.140 2.138 -0.114) 5.568 4.656 ( -1.756 5.083 1.076) 5.484 4.949 ( 0.406 0.781 -4.003) 4.099 5.010 ( -5.046 -7.354 -1.246) 9.005 5.100 ( -1.582 -0.460 4.782) 5.058 5.155 ( 4.648 -1.926 6.349) 8.101 5.271 ( -1.024 6.456 3.720) 7.521 5.457 ( -1.102 -0.553 -0.301) 1.270 5.504 ( 0.797 3.064 8.621) 9.184 5.626 ( 0.666 4.975 -1.857) 5.352 5.737 ( -1.210 0.030 -3.596) 3.795 5.828 ( -1.600 7.932 -3.510) 8.820 5.976 ( 2.986 1.707 -3.493) 4.902 6.064 ( 2.962 0.587 6.849) 7.485 6.231 ( 3.735 -1.465 1.086) 4.156 6.411 ( -4.528 3.675 3.843) 6.984 6.589 ( -0.824 -5.550 -2.690) 6.222 6.976 ( 6.651 1.058 -10.171) 12.199 7.545 ( 3.261 0.726 3.200) 4.626 7.645 ( 1.497 -3.147 2.237) 4.141 7.737 ( -0.191 0.466 0.167) 0.530 7.795 ( 3.616 4.334 -0.483) 5.665 7.941 ( 2.718 -0.228 -1.638) 3.182 7.986 ( -3.167 -0.076 -0.262) 3.179 8.130 ( -2.168 -0.428 0.303) 2.231 8.397 ( -0.166 0.026 2.066) 2.073 8.696 ( -15.981 1.693 8.225) 18.053 9.078 ( -6.492 -3.902 -3.129) 8.196 9.363 ( -4.372 -2.115 -7.376) 8.832 9.766 ( 1.219 3.183 4.239) 5.439 9.833 ( -0.307 -10.488 -14.407) 17.823 9.922 ( 5.559 2.608 4.560) 7.648 10.251 ( -4.542 -1.813 0.540) 4.921 10.371 ( 5.281 2.939 -5.383) 8.094 10.466 ( 6.398 -2.646 -2.898) 7.505 10.535 ( -5.028 -4.191 -0.734) 6.587 10.732 ( -5.016 0.006 4.595) 6.803 11.142 ( -2.557 1.994 0.698) 3.317 11.320 ( -0.544 -3.626 8.371) 9.138 11.553 ( -0.980 1.198 3.853) 4.152 11.563 ( -4.811 2.027 2.609) 5.836 11.650 ( -2.963 -1.255 -1.899) 3.736 12.148 ( 4.115 6.175 -3.876) 8.372 12.194 ( 4.701 7.711 -4.637) 10.152 12.457 ( -3.873 3.663 6.803) 8.643 12.629 ( 1.835 -0.973 -0.891) 2.260 12.784 ( 3.087 -5.067 -6.500) 8.801 13.001 ( -4.032 0.430 0.879) 4.149 13.154 ( -1.289 8.532 -8.636) 12.208 13.254 ( -0.378 4.742 -3.326) 5.804 13.453 ( 7.258 -4.729 2.848) 9.119 13.790 ( -6.764 -1.601 3.418) 7.745 14.133 ( -9.175 -3.169 0.515) 9.720 14.406 ( -13.710 -14.220 1.614) 19.819 16.478 ( 22.608 10.588 -0.558) 24.970 16.891 ( 2.858 3.383 5.902) 7.379 16.926 ( 3.061 1.325 9.369) 9.945 17.258 ( 5.528 -1.172 -4.969) 7.525 20.548 ( -3.845 0.273 1.460) 4.122 20.936 ( 3.968 2.425 -3.434) 5.781 21.260 ( -4.864 3.516 -3.355) 6.876 21.325 ( 0.472 3.206 0.214) 3.247 21.430 ( -2.220 -0.161 -3.069) 3.791 22.098 ( -14.754 -7.009 -8.982) 18.641 22.211 ( 4.351 7.787 8.706) 12.465 22.387 ( -2.734 -6.879 10.668) 12.985 22.680 ( -2.878 -6.939 -0.422) 7.524 22.891 ( 1.563 -5.276 0.806) 5.561 23.293 ( 0.599 -0.859 -6.320) 6.406 23.442 ( -0.970 -1.646 -1.170) 2.241 23.560 ( -0.815 0.763 2.230) 2.494 23.621 ( -0.240 -0.555 0.972) 1.145 23.802 ( 6.778 1.144 9.528) 11.749 24.582 ( 12.111 8.871 -9.091) 17.551 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -3.867 -26.017 -0.810) 26.315 1.760 ( 1.164 -9.878 -6.417) 11.837 1.847 ( 0.371 -10.596 -5.994) 12.179 1.956 ( 4.645 -7.005 6.539) 10.650 2.035 ( 5.077 -2.862 3.733) 6.921 2.308 ( -4.206 -8.257 -2.996) 9.739 2.445 ( 0.218 -6.502 -12.362) 13.969 2.556 ( -9.484 -3.695 -3.451) 10.747 2.681 ( 1.285 -6.768 -1.366) 7.023 2.772 ( 2.139 -2.927 2.572) 4.445 2.833 ( -2.362 -3.981 -8.874) 10.009 2.973 ( 1.706 -1.118 4.927) 5.332 3.023 ( -2.424 -3.543 11.872) 12.624 3.199 ( -2.360 1.962 -0.346) 3.089 3.429 ( 2.053 6.390 2.913) 7.316 3.592 ( -1.047 2.443 5.604) 6.203 3.657 ( -4.380 -5.220 -2.963) 7.431 3.742 ( -1.476 -4.790 -0.401) 5.028 3.896 ( 8.464 -3.761 6.780) 11.478 4.052 ( 1.182 -0.856 -5.384) 5.578 4.136 ( 0.296 -5.996 -9.060) 10.868 4.297 ( -3.399 -1.714 -2.633) 4.628 4.457 ( 9.993 -3.622 -3.909) 11.326 4.572 ( -0.241 2.854 1.816) 3.391 4.844 ( -2.923 5.685 -4.305) 7.707 5.017 ( -3.721 0.201 -1.937) 4.200 5.071 ( -7.005 2.356 1.259) 7.497 5.216 ( -0.501 -1.798 6.990) 7.235 5.326 ( 3.993 -1.354 12.047) 12.764 5.404 ( -5.408 1.909 -1.343) 5.890 5.502 ( 4.186 2.160 5.849) 7.510 5.593 ( 5.472 1.274 0.109) 5.619 5.681 ( 3.856 4.857 0.266) 6.207 5.731 ( 0.206 1.297 -6.294) 6.429 5.923 ( 2.048 3.183 -3.068) 4.872 6.140 ( 2.740 -1.531 7.963) 8.559 6.205 ( -1.074 6.249 3.986) 7.489 6.372 ( -1.619 -1.303 -0.817) 2.233 6.649 ( -3.987 -3.565 -1.465) 5.546 6.934 ( 2.521 2.629 -7.306) 8.163 7.505 ( -1.700 6.555 4.125) 7.929 7.691 ( 2.650 1.226 -3.263) 4.379 7.703 ( 2.130 0.418 -0.996) 2.388 7.793 ( 5.349 3.381 2.504) 6.806 7.917 ( -0.962 5.779 2.343) 6.309 7.958 ( -0.699 -3.359 -0.510) 3.469 8.134 ( -3.122 -1.026 1.358) 3.556 8.353 ( -5.123 3.692 1.983) 6.619 8.735 ( -3.135 -9.608 9.729) 14.028 9.074 ( -1.160 -1.378 -3.054) 3.546 9.357 ( -6.467 -5.003 -7.460) 11.068 9.717 ( 0.798 4.852 3.845) 6.242 9.906 ( 2.642 4.651 0.328) 5.359 9.989 ( 1.890 -13.671 -16.599) 21.587 10.279 ( -2.982 -2.509 5.539) 6.773 10.353 ( 6.269 0.354 -6.766) 9.230 10.477 ( -6.527 -1.372 -3.038) 7.328 10.635 ( 9.221 -5.273 -2.996) 11.036 10.749 ( -3.399 -1.652 6.829) 7.805 11.087 ( -5.652 -0.135 -0.775) 5.706 11.424 ( -0.052 -2.389 3.089) 3.905 11.431 ( -1.260 8.149 3.835) 9.094 11.539 ( -7.919 -2.237 4.146) 9.214 11.673 ( 0.371 -1.550 0.236) 1.611 12.061 ( 8.197 6.245 -5.328) 11.600 12.101 ( -0.062 2.384 -3.639) 4.351 12.365 ( -4.771 4.950 6.820) 9.683 12.581 ( 0.390 5.292 -2.390) 5.820 12.708 ( -3.749 6.814 -5.549) 9.554 12.969 ( 1.677 2.845 -8.026) 8.679 13.092 ( 2.217 -6.135 1.126) 6.620 13.232 ( 6.286 1.495 0.977) 6.535 13.591 ( 3.007 -3.199 2.123) 4.877 13.786 ( -7.224 -2.060 3.478) 8.278 14.193 ( -3.744 -7.716 3.052) 9.103 14.562 ( -12.029 -13.353 -0.232) 17.974 16.419 ( 18.305 14.802 2.396) 23.663 16.772 ( 1.171 11.307 2.614) 11.665 16.984 ( -2.114 -1.634 6.630) 7.148 17.294 ( 4.112 -1.044 -5.166) 6.685 20.511 ( -3.751 1.270 2.584) 4.729 20.883 ( 3.333 3.462 -6.139) 7.796 21.153 ( -2.501 2.430 -0.945) 3.613 21.300 ( 1.260 1.102 1.873) 2.512 21.423 ( -2.452 -2.989 -4.508) 5.939 21.872 ( -11.248 5.123 -9.910) 15.842 22.347 ( 4.235 -4.099 9.925) 11.543 22.580 ( 0.847 -8.629 9.654) 12.976 22.771 ( -1.058 -5.074 -2.384) 5.705 23.038 ( -0.245 -9.131 1.254) 9.220 23.291 ( 0.815 -1.262 -4.629) 4.867 23.464 ( -1.151 -2.548 -2.233) 3.578 23.550 ( -0.339 0.982 2.135) 2.374 23.629 ( -0.768 -0.229 0.657) 1.037 23.855 ( 3.262 2.984 8.346) 9.445 24.400 ( 7.464 14.439 -7.392) 17.856 ======================= Grid point 154 (76/114) ======================= q-point: ( 0.62 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -11.366 -6.255 4.596) 13.763 1.851 ( -2.075 -3.187 -1.023) 3.938 1.991 ( 2.254 -4.232 0.260) 4.802 2.125 ( 1.488 -7.248 -1.744) 7.602 2.206 ( 5.421 -9.259 1.654) 10.856 2.392 ( 3.591 -1.787 2.176) 4.563 2.513 ( -7.434 -8.341 -8.228) 13.876 2.565 ( 5.626 -4.949 -9.351) 11.982 2.702 ( -5.185 -1.042 -1.213) 5.425 2.783 ( 0.923 -2.207 0.895) 2.554 3.008 ( 1.774 -5.312 3.566) 6.639 3.026 ( 2.018 1.078 1.913) 2.982 3.132 ( 2.415 -4.003 -3.125) 5.623 3.185 ( -0.878 -4.861 6.537) 8.194 3.422 ( 2.714 0.389 7.654) 8.131 3.576 ( -1.116 2.214 3.957) 4.670 3.663 ( -2.839 -2.468 -5.843) 6.949 3.774 ( -4.171 -2.234 -1.296) 4.906 3.977 ( -2.724 1.107 -6.510) 7.143 4.043 ( -3.300 4.399 -12.088) 13.280 4.166 ( 8.102 -7.275 8.056) 13.545 4.303 ( -5.956 -1.235 -0.906) 6.150 4.552 ( -0.933 1.683 1.867) 2.681 4.615 ( 7.348 -5.893 -11.090) 14.550 4.742 ( 4.690 2.872 3.878) 6.729 4.968 ( -2.713 0.798 4.584) 5.386 5.027 ( -1.961 -1.630 -0.659) 2.634 5.252 ( 1.882 1.445 2.897) 3.745 5.318 ( -6.896 1.297 0.813) 7.064 5.384 ( -2.636 0.630 7.707) 8.169 5.561 ( -1.467 1.730 4.134) 4.715 5.597 ( 5.561 -1.557 -3.056) 6.534 5.615 ( -0.743 5.940 -3.211) 6.793 5.727 ( 10.243 0.146 2.756) 10.608 5.877 ( 1.555 2.429 -3.595) 4.609 6.095 ( -4.477 2.980 2.169) 5.799 6.247 ( 4.237 -1.732 6.406) 7.873 6.373 ( -0.358 0.261 -1.291) 1.365 6.628 ( -5.095 0.629 -0.674) 5.177 6.853 ( -1.631 1.815 -7.350) 7.745 7.416 ( -0.231 3.010 2.326) 3.811 7.597 ( 0.576 3.392 -4.308) 5.513 7.705 ( 2.359 6.918 1.822) 7.533 7.787 ( 0.109 0.742 0.380) 0.841 7.844 ( 4.392 2.692 3.866) 6.441 8.029 ( -0.202 -4.806 0.981) 4.909 8.137 ( -2.978 0.140 0.004) 2.982 8.257 ( -4.838 0.890 2.063) 5.334 8.982 ( 2.249 -8.658 10.248) 13.603 9.093 ( 1.506 -0.456 3.276) 3.634 9.344 ( -5.658 -3.621 -6.134) 9.097 9.658 ( 2.017 4.668 3.056) 5.933 9.795 ( -3.675 5.325 -2.882) 7.083 10.146 ( 1.145 -9.615 -15.820) 18.548 10.306 ( -1.762 0.409 5.889) 6.161 10.403 ( 7.711 -2.658 -7.987) 11.415 10.461 ( -2.475 -2.802 -3.194) 4.918 10.723 ( 1.916 1.233 -2.547) 3.417 10.835 ( 4.432 -3.750 4.939) 7.623 11.074 ( -3.518 -3.481 1.892) 5.298 11.271 ( -2.477 8.488 3.242) 9.418 11.415 ( -2.173 1.362 0.874) 2.709 11.613 ( -5.036 -7.606 1.878) 9.313 11.701 ( 0.025 -1.260 0.768) 1.476 11.980 ( 3.630 5.688 -1.676) 6.952 12.082 ( -1.652 -2.970 -5.537) 6.497 12.300 ( -3.009 2.215 8.114) 8.933 12.423 ( -0.659 8.249 0.094) 8.276 12.614 ( 1.155 0.393 -3.636) 3.836 12.888 ( -0.124 0.811 -9.455) 9.490 13.221 ( 3.555 -2.844 1.534) 4.804 13.287 ( 6.612 -0.154 0.823) 6.665 13.662 ( 3.582 -1.447 1.217) 4.050 13.766 ( -8.729 -1.266 2.865) 9.274 14.356 ( 0.337 -7.815 6.060) 9.895 14.685 ( -8.893 -10.086 -2.438) 13.666 16.262 ( 7.650 15.893 5.135) 18.370 16.576 ( 2.833 10.218 -4.511) 11.523 17.024 ( -3.047 -1.455 6.266) 7.118 17.308 ( 3.369 -0.068 -5.816) 6.722 20.480 ( -3.058 0.577 4.481) 5.455 20.815 ( 2.507 2.416 -6.872) 7.704 21.130 ( 0.370 -0.141 1.610) 1.658 21.301 ( -0.645 0.659 1.018) 1.374 21.443 ( -1.574 -3.273 -3.806) 5.261 21.676 ( -7.049 2.621 -5.920) 9.571 22.490 ( 2.855 -3.000 7.390) 8.471 22.807 ( 4.691 -7.726 9.450) 13.076 22.824 ( 0.820 -2.738 -3.993) 4.911 23.209 ( -2.920 -9.316 -0.613) 9.782 23.299 ( 2.263 -0.244 -1.751) 2.871 23.487 ( -1.512 -2.380 -3.146) 4.225 23.543 ( 0.452 1.015 2.063) 2.343 23.624 ( -1.328 0.083 0.122) 1.336 23.836 ( 0.294 4.257 4.809) 6.429 24.124 ( 2.304 15.337 -5.289) 16.386 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -12.120 8.324 14.540) 20.678 1.900 ( 1.587 -2.817 -4.668) 5.678 1.937 ( -5.271 2.132 -1.410) 5.858 2.296 ( 4.855 -3.872 -6.590) 9.055 2.347 ( 4.275 2.161 10.956) 11.958 2.431 ( 4.636 -0.295 -0.384) 4.661 2.548 ( 0.839 -0.518 -4.976) 5.073 2.632 ( -4.883 -0.554 -2.874) 5.693 2.772 ( 8.786 -8.229 -0.448) 12.046 2.889 ( -1.182 2.099 4.407) 5.022 2.914 ( 4.148 -2.748 3.818) 6.272 3.171 ( 1.568 -4.831 -0.672) 5.124 3.233 ( -5.546 -1.807 0.465) 5.851 3.297 ( 4.616 -4.800 0.420) 6.672 3.421 ( 3.862 5.920 -1.614) 7.250 3.507 ( -7.773 0.320 1.128) 7.861 3.649 ( -2.869 0.586 -1.624) 3.348 3.771 ( -0.898 0.225 -2.192) 2.380 3.856 ( -2.391 1.792 -9.353) 9.819 3.933 ( 0.652 1.619 -4.637) 4.954 4.194 ( -8.147 5.932 3.968) 10.831 4.353 ( 4.318 -1.784 2.607) 5.350 4.510 ( -0.063 0.326 1.585) 1.619 4.697 ( 0.984 -5.111 -6.689) 8.475 4.759 ( 6.971 4.781 4.994) 9.818 5.027 ( -1.745 -1.805 -5.064) 5.653 5.066 ( 3.101 -2.620 6.515) 7.676 5.226 ( -4.962 2.081 -0.895) 5.454 5.262 ( 2.906 -0.494 2.241) 3.703 5.366 ( -4.576 1.968 5.387) 7.337 5.488 ( -3.374 0.858 -1.062) 3.640 5.552 ( 1.291 1.889 2.693) 3.533 5.645 ( 0.867 -0.773 -2.159) 2.452 5.790 ( -3.003 1.086 -5.531) 6.387 5.832 ( 8.051 2.126 4.692) 9.558 6.055 ( -0.838 -0.062 -1.733) 1.926 6.267 ( -1.155 3.845 0.168) 4.019 6.387 ( 4.098 -2.260 -3.537) 5.866 6.585 ( -3.091 -0.724 3.548) 4.761 6.789 ( -1.990 -0.796 -5.681) 6.072 7.419 ( 1.721 -1.563 1.694) 2.876 7.551 ( -0.979 -0.701 -4.404) 4.565 7.612 ( 0.674 4.907 3.509) 6.070 7.727 ( -1.246 1.941 0.117) 2.310 7.940 ( 3.847 -3.215 2.597) 5.646 8.035 ( -3.493 1.965 -2.019) 4.488 8.165 ( 3.670 -3.770 3.472) 6.303 8.255 ( -3.728 -1.949 -0.406) 4.227 9.127 ( -8.933 -2.036 9.032) 12.865 9.153 ( 5.715 -4.124 1.746) 7.261 9.354 ( 2.915 0.824 2.351) 3.834 9.554 ( -3.599 7.017 -1.632) 8.053 9.723 ( -1.381 -1.692 3.386) 4.029 10.192 ( 1.091 -2.656 -9.569) 9.991 10.328 ( -0.245 -1.857 -0.716) 2.005 10.400 ( 3.400 4.695 -4.785) 7.516 10.518 ( 3.715 -4.211 -4.803) 7.389 10.666 ( 0.688 2.722 -4.575) 5.368 10.913 ( 1.657 0.640 4.837) 5.152 11.096 ( -3.721 5.569 -1.821) 6.941 11.190 ( 0.883 -2.877 8.818) 9.318 11.420 ( -1.676 -3.396 -1.934) 4.252 11.698 ( 3.112 -2.739 -0.392) 4.164 11.733 ( -4.404 -2.807 -0.318) 5.232 11.917 ( -1.686 1.133 2.215) 3.006 12.072 ( -1.852 -0.268 -5.382) 5.698 12.289 ( 0.721 3.521 4.501) 5.759 12.372 ( 1.211 -3.598 3.035) 4.860 12.645 ( 0.744 -4.029 0.649) 4.148 12.874 ( 0.394 -3.883 -6.259) 7.377 13.247 ( -2.262 1.642 1.685) 3.263 13.328 ( 2.742 0.366 -1.456) 3.126 13.698 ( -6.876 -0.838 1.877) 7.177 13.761 ( 8.434 0.048 -0.318) 8.440 14.514 ( -1.897 -5.169 7.744) 9.502 14.767 ( -1.239 -6.032 -4.828) 7.825 16.041 ( -4.881 12.006 7.338) 14.894 16.415 ( 6.678 7.143 -9.382) 13.551 17.047 ( -2.326 -0.085 4.521) 5.085 17.293 ( 3.431 1.272 -6.273) 7.262 20.498 ( -2.728 -1.950 6.869) 7.644 20.777 ( 2.647 0.170 -6.009) 6.569 21.156 ( 1.710 -0.009 2.686) 3.184 21.264 ( -2.344 1.643 -2.028) 3.508 21.472 ( 0.760 -1.444 0.834) 1.832 21.612 ( -5.375 -3.790 -4.241) 7.825 22.574 ( -0.014 -0.779 6.074) 6.123 22.845 ( 2.538 -0.527 -5.219) 5.827 23.033 ( 5.969 -5.917 7.871) 11.515 23.248 ( -0.715 0.514 -3.542) 3.650 23.372 ( 0.789 -4.574 1.393) 4.846 23.485 ( -1.689 -0.679 -3.635) 4.066 23.545 ( 1.981 0.731 1.663) 2.688 23.606 ( -1.904 0.257 -0.655) 2.029 23.761 ( -1.807 4.791 1.728) 5.404 23.859 ( -0.843 10.491 -2.086) 10.729 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -7.454 12.024 13.051) 19.247 1.818 ( 1.022 9.436 1.903) 9.680 1.896 ( -1.515 3.994 0.773) 4.341 2.257 ( 3.779 12.365 3.626) 13.429 2.335 ( 2.934 1.944 -2.049) 4.073 2.377 ( -1.179 3.823 1.191) 4.174 2.548 ( 7.189 6.743 -0.445) 9.867 2.673 ( 2.820 -5.355 -3.173) 6.834 2.871 ( 2.116 -1.271 2.646) 3.618 2.906 ( -2.365 2.755 0.863) 3.732 2.992 ( 2.171 0.270 1.108) 2.452 3.161 ( -4.373 3.218 -2.071) 5.811 3.193 ( -2.574 9.429 0.155) 9.776 3.252 ( -1.414 -1.456 -1.020) 2.271 3.428 ( 2.134 0.380 2.008) 2.955 3.458 ( -7.296 -1.411 -2.692) 7.904 3.582 ( 1.004 2.940 -0.098) 3.109 3.655 ( -0.253 5.772 -5.858) 8.228 3.872 ( 2.902 -2.858 -2.457) 4.757 3.929 ( 3.764 -2.996 -6.789) 8.321 4.074 ( -5.075 3.766 10.707) 12.433 4.335 ( 1.506 4.999 1.787) 5.518 4.561 ( 1.567 -2.430 -0.759) 2.990 4.727 ( -3.547 1.756 4.613) 6.078 4.765 ( 8.178 -0.795 -7.080) 10.846 4.927 ( -3.846 3.564 -8.728) 10.182 5.172 ( -0.120 -3.650 3.560) 5.100 5.212 ( -1.432 -5.373 2.745) 6.201 5.305 ( -4.832 1.949 4.998) 7.220 5.365 ( 2.794 -1.223 5.061) 5.909 5.476 ( -2.043 -1.000 2.904) 3.689 5.561 ( 1.796 -0.592 -3.196) 3.713 5.582 ( -3.014 3.387 0.012) 4.534 5.765 ( 0.837 -3.065 -3.961) 5.078 5.866 ( 3.693 0.406 -0.189) 3.720 5.990 ( 3.213 7.448 -7.314) 10.922 6.201 ( -4.182 -0.202 2.973) 5.135 6.431 ( 2.221 -2.739 -7.261) 8.072 6.664 ( 0.840 -4.562 6.108) 7.669 6.788 ( -0.200 -2.355 -3.145) 3.934 7.512 ( 1.597 -4.453 1.382) 4.928 7.531 ( -3.681 -0.958 -0.783) 3.883 7.579 ( 0.147 -0.010 1.222) 1.231 7.726 ( 2.604 -0.713 -3.105) 4.115 7.932 ( -5.332 -1.278 1.286) 5.632 8.067 ( 4.482 0.041 -0.176) 4.485 8.232 ( -3.515 -0.881 0.503) 3.658 8.278 ( 2.131 -2.323 1.406) 3.451 9.100 ( -14.209 -2.067 4.917) 15.177 9.293 ( 0.488 -0.053 4.120) 4.149 9.333 ( 1.580 -2.024 0.694) 2.660 9.452 ( 7.316 2.931 -1.178) 7.969 9.779 ( -4.424 -0.937 9.298) 10.339 10.193 ( 4.985 0.953 -7.863) 9.359 10.298 ( 1.713 3.570 0.398) 3.979 10.349 ( 2.711 0.774 -4.829) 5.592 10.572 ( 4.074 0.564 -1.823) 4.498 10.614 ( 0.705 -0.252 -8.401) 8.434 10.928 ( 2.402 2.321 4.520) 5.621 10.946 ( -6.661 3.167 -0.932) 7.434 11.278 ( -1.256 -0.729 6.532) 6.692 11.451 ( -0.638 -2.512 -2.317) 3.477 11.700 ( -1.467 1.829 -0.665) 2.437 11.775 ( 3.271 -1.586 -0.833) 3.729 11.936 ( -6.912 -4.965 2.372) 8.835 12.061 ( 1.706 -1.744 -0.339) 2.463 12.289 ( 2.336 0.856 6.420) 6.885 12.488 ( 2.606 -6.110 -7.018) 9.664 12.795 ( 0.036 -9.189 7.538) 11.885 12.948 ( -0.177 -5.444 -2.748) 6.101 13.155 ( -9.713 2.787 2.018) 10.304 13.303 ( -0.945 1.364 -3.377) 3.763 13.642 ( -6.497 0.442 -1.223) 6.626 13.839 ( 11.512 1.673 -0.648) 11.651 14.562 ( -10.102 -1.493 5.049) 11.392 14.862 ( 10.927 -2.034 -3.136) 11.549 15.840 ( -11.297 5.779 7.544) 14.763 16.341 ( 11.385 3.185 -9.475) 15.150 17.025 ( -2.193 2.509 2.642) 4.253 17.258 ( 4.380 2.312 -6.111) 7.866 20.565 ( -3.938 -3.834 6.817) 8.757 20.794 ( 4.271 -1.686 -4.353) 6.327 21.178 ( -1.085 -0.326 0.504) 1.240 21.204 ( 0.746 1.247 -0.186) 1.465 21.551 ( 4.150 -3.060 6.695) 8.450 21.628 ( -6.353 -4.709 -5.032) 9.373 22.579 ( -3.750 1.449 4.895) 6.334 22.821 ( 1.520 2.043 -6.862) 7.319 23.091 ( -3.106 3.975 2.142) 5.480 23.200 ( -1.021 5.369 -3.399) 6.436 23.437 ( 0.299 -1.502 0.209) 1.546 23.460 ( -0.917 0.498 -0.834) 1.336 23.583 ( -1.479 -0.413 -1.410) 2.085 23.624 ( 9.368 -3.244 3.930) 10.665 23.670 ( -2.016 2.721 -0.316) 3.401 23.739 ( 2.619 0.966 0.136) 2.794 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( 4.614 0.000 -5.615) 7.268 1.212 ( -1.945 -0.000 -6.229) 6.526 1.484 ( 4.505 0.000 -15.319) 15.968 1.777 ( -4.875 -0.000 5.096) 7.053 2.080 ( 3.715 0.000 0.097) 3.716 2.118 ( 10.089 0.000 10.132) 14.299 2.309 ( -1.301 -0.000 -1.928) 2.326 2.353 ( -0.310 -0.000 -3.885) 3.897 2.525 ( -10.790 -0.000 -8.541) 13.761 2.742 ( 1.178 0.000 -3.078) 3.295 2.877 ( -2.456 -0.000 10.979) 11.250 2.882 ( -5.659 -0.000 -5.794) 8.099 3.050 ( 10.259 0.000 3.275) 10.769 3.306 ( -7.667 -0.000 -1.901) 7.899 3.336 ( -2.196 -0.000 0.443) 2.240 3.596 ( 5.543 0.000 1.864) 5.848 3.667 ( -6.612 -0.000 -11.777) 13.506 3.743 ( 1.149 0.000 10.305) 10.369 3.857 ( 7.760 0.000 3.995) 8.728 3.895 ( 5.844 0.000 -2.948) 6.546 4.015 ( -0.298 -0.000 -0.777) 0.832 4.252 ( -6.479 -0.000 -2.154) 6.828 4.436 ( 2.070 0.000 -4.078) 4.574 4.649 ( -10.235 -0.000 -1.608) 10.360 4.938 ( -0.895 -0.000 2.237) 2.409 4.938 ( 1.030 0.000 -4.466) 4.583 5.110 ( -0.940 -0.000 5.222) 5.306 5.216 ( 4.124 0.000 9.922) 10.745 5.377 ( 3.480 0.000 6.244) 7.149 5.436 ( -0.079 -0.000 -3.512) 3.513 5.608 ( 2.874 0.000 10.716) 11.094 5.649 ( 1.535 0.000 -4.316) 4.581 5.691 ( -7.729 -0.000 -2.454) 8.109 5.887 ( -0.201 -0.000 -1.367) 1.382 6.009 ( 3.975 0.000 -1.309) 4.185 6.105 ( -1.341 -0.000 3.341) 3.600 6.273 ( 9.651 0.000 4.258) 10.548 6.437 ( -7.848 -0.000 3.360) 8.537 6.506 ( 1.090 0.000 -5.244) 5.356 6.980 ( 7.195 0.000 -12.356) 14.298 7.615 ( 4.005 0.000 4.145) 5.763 7.617 ( 3.888 0.000 0.685) 3.948 7.742 ( -4.766 -0.000 2.517) 5.390 7.894 ( 5.082 0.000 0.631) 5.121 7.918 ( -1.423 -0.000 -1.280) 1.914 7.945 ( 1.892 0.000 -3.593) 4.060 8.127 ( -1.230 -0.000 1.377) 1.846 8.403 ( -1.212 -0.000 2.064) 2.393 8.646 ( -13.953 -0.000 10.090) 17.218 8.940 ( -6.918 -0.000 -3.591) 7.795 9.262 ( -6.206 -0.000 -9.209) 11.105 9.625 ( -0.863 -0.000 -17.807) 17.828 9.848 ( 3.596 0.000 4.405) 5.687 9.997 ( 1.948 0.000 3.517) 4.020 10.212 ( -2.274 -0.000 1.664) 2.818 10.404 ( -8.455 -0.000 1.339) 8.560 10.458 ( 5.317 0.000 -5.897) 7.941 10.488 ( 9.891 0.000 -2.548) 10.214 10.693 ( -7.928 -0.000 4.189) 8.966 11.066 ( -8.200 -0.000 -13.505) 15.800 11.316 ( -2.686 -0.000 13.254) 13.523 11.603 ( 0.195 0.000 4.213) 4.217 11.608 ( 1.335 0.000 4.688) 4.874 11.631 ( 2.193 0.000 2.644) 3.435 12.179 ( 0.102 0.000 -4.939) 4.940 12.350 ( 4.043 0.000 -9.591) 10.409 12.511 ( 0.462 0.000 7.917) 7.930 12.561 ( -1.674 -0.000 5.048) 5.318 12.769 ( 5.878 0.000 -7.813) 9.777 12.939 ( -5.320 -0.000 -3.148) 6.182 13.237 ( -1.888 -0.000 -6.333) 6.608 13.257 ( 3.125 0.000 -1.155) 3.332 13.506 ( 8.550 0.000 3.120) 9.102 13.735 ( -4.900 -0.000 1.953) 5.275 14.039 ( -9.680 -0.000 0.697) 9.705 14.145 ( -10.138 -0.000 2.069) 10.347 16.771 ( 21.735 0.000 -1.205) 21.768 16.903 ( -0.437 -0.000 6.427) 6.442 17.070 ( -1.579 -0.000 12.511) 12.610 17.267 ( 5.342 0.000 -5.045) 7.348 20.529 ( -3.185 -0.000 2.063) 3.795 20.976 ( 3.335 0.000 -4.238) 5.393 21.229 ( -4.281 -0.000 -5.361) 6.860 21.311 ( -2.684 -0.000 -2.390) 3.593 21.446 ( -2.298 -0.000 1.581) 2.789 21.825 ( -13.060 -0.000 -16.065) 20.704 22.377 ( -1.210 -0.000 14.831) 14.880 22.384 ( 6.348 0.000 8.234) 10.397 22.582 ( -1.711 -0.000 1.409) 2.216 22.851 ( 0.410 0.000 -0.191) 0.452 23.261 ( 1.826 0.000 -6.315) 6.573 23.403 ( -1.922 -0.000 -2.474) 3.133 23.578 ( -0.457 -0.000 2.653) 2.692 23.620 ( -0.054 -0.000 1.108) 1.110 23.931 ( 4.245 0.000 14.294) 14.911 24.709 ( 10.677 0.000 -10.984) 15.318 ======================= Grid point 161 (80/114) ======================= q-point: ( 0.50 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 1.601 -19.868 -0.669) 19.943 1.450 ( 1.048 -22.602 -9.249) 24.444 1.577 ( 7.814 -8.492 -5.554) 12.807 1.831 ( -6.774 -9.164 6.266) 13.005 2.124 ( -2.263 -5.176 -1.416) 5.824 2.147 ( -7.953 1.628 1.408) 8.239 2.280 ( 5.405 0.031 -7.784) 9.476 2.424 ( -3.129 -5.627 -4.915) 8.100 2.526 ( 1.673 -6.891 6.435) 9.576 2.735 ( -3.739 1.227 -3.011) 4.955 2.772 ( 4.823 -1.528 -5.366) 7.375 2.981 ( -3.295 -4.152 6.246) 8.192 3.075 ( 3.451 6.993 2.848) 8.302 3.212 ( 0.228 -0.229 -0.112) 0.342 3.430 ( -5.868 -9.413 -1.742) 11.228 3.539 ( 0.193 3.241 -3.575) 4.829 3.649 ( -0.030 -0.684 0.026) 0.685 3.743 ( -1.678 4.216 8.813) 9.912 3.942 ( 2.245 -2.725 1.638) 3.892 4.001 ( 8.333 -2.654 -5.957) 10.582 4.035 ( 2.765 -2.880 0.113) 3.994 4.197 ( -5.505 -1.589 -3.485) 6.706 4.448 ( 3.611 -1.814 -3.663) 5.454 4.555 ( -9.028 -0.085 -0.673) 9.053 4.889 ( 0.106 2.763 -4.832) 5.567 4.944 ( -2.968 -1.559 -1.314) 3.601 5.105 ( 0.691 3.017 4.741) 5.662 5.286 ( -1.113 2.936 8.750) 9.296 5.380 ( 1.564 -0.563 3.367) 3.755 5.424 ( -1.550 3.392 1.644) 4.075 5.615 ( -1.325 0.641 -3.047) 3.384 5.630 ( 3.204 0.822 1.260) 3.540 5.704 ( 4.277 0.325 4.031) 5.886 5.853 ( 6.812 4.576 4.025) 9.140 5.998 ( 3.285 3.452 -2.613) 5.435 6.141 ( -1.560 -3.246 4.524) 5.783 6.319 ( -8.654 5.258 1.840) 10.291 6.367 ( 5.498 0.746 5.784) 8.015 6.527 ( -1.578 -3.992 -5.190) 6.735 6.954 ( 3.502 2.133 -11.053) 11.789 7.627 ( -2.374 5.348 4.568) 7.423 7.673 ( 2.674 -2.233 0.854) 3.587 7.721 ( 1.686 -1.596 -0.697) 2.424 7.853 ( -1.184 0.973 -2.476) 2.912 7.945 ( 2.900 -0.210 0.908) 3.046 8.000 ( 2.871 0.012 -0.234) 2.881 8.113 ( -1.350 0.815 3.196) 3.564 8.378 ( -3.901 2.307 0.512) 4.561 8.633 ( -3.011 -4.339 12.801) 13.848 8.946 ( -5.170 -6.587 -3.194) 8.962 9.181 ( -5.560 -2.844 -9.547) 11.408 9.632 ( -0.673 -10.652 -20.462) 23.078 9.857 ( 3.664 4.632 4.577) 7.472 9.993 ( -0.976 2.036 0.926) 2.440 10.236 ( -0.564 -2.639 3.750) 4.620 10.361 ( -3.765 -1.024 0.752) 3.973 10.436 ( 2.659 2.323 -5.529) 6.560 10.614 ( 10.556 -4.295 -1.997) 11.570 10.674 ( -8.300 -3.170 4.688) 10.045 10.941 ( -8.155 -2.967 -14.507) 16.904 11.375 ( -3.304 -1.164 12.410) 12.895 11.590 ( -0.516 3.380 5.895) 6.815 11.616 ( 1.937 5.649 5.476) 8.103 11.665 ( 2.651 -0.478 2.406) 3.612 12.113 ( -1.833 2.881 -6.493) 7.336 12.229 ( 6.819 7.289 -9.385) 13.700 12.482 ( -4.372 6.732 9.017) 12.072 12.613 ( -2.420 -1.869 1.004) 3.219 12.736 ( 2.079 3.439 -8.440) 9.348 12.945 ( -3.618 -4.214 -3.917) 6.796 13.113 ( 5.451 6.874 -0.031) 8.773 13.274 ( 2.975 0.028 -2.605) 3.954 13.598 ( 4.425 -1.350 3.934) 6.073 13.730 ( -2.938 -1.120 1.641) 3.546 14.039 ( -2.982 -6.696 3.019) 7.927 14.223 ( -8.457 -12.792 -0.432) 15.341 16.833 ( 18.124 10.962 1.741) 21.252 16.918 ( -4.071 2.516 5.183) 7.055 17.035 ( -3.419 4.656 8.554) 10.322 17.287 ( 4.298 -0.324 -5.019) 6.615 20.513 ( -3.195 0.530 3.354) 4.662 20.941 ( 2.952 3.106 -7.166) 8.349 21.155 ( -3.057 1.590 -2.852) 4.473 21.288 ( -4.883 -2.414 -4.565) 7.107 21.387 ( 0.130 3.020 1.849) 3.543 21.715 ( -9.114 -3.539 -12.947) 16.224 22.432 ( 4.856 2.201 9.345) 10.759 22.511 ( 1.259 -6.181 13.422) 14.831 22.657 ( 0.282 -5.687 -0.618) 5.727 22.897 ( -1.140 -5.310 -0.293) 5.439 23.260 ( 2.574 -0.983 -4.543) 5.313 23.388 ( -2.401 -2.064 -3.570) 4.772 23.580 ( -0.034 0.842 2.485) 2.624 23.628 ( -0.181 -0.105 0.806) 0.832 23.997 ( 0.753 3.388 14.051) 14.474 24.642 ( 8.022 9.375 -10.938) 16.489 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -2.274 -20.906 0.623) 21.039 1.682 ( -5.056 -9.444 -7.209) 12.912 1.851 ( 3.800 -15.995 -1.328) 16.494 2.038 ( -4.205 -0.221 7.422) 8.533 2.095 ( -5.891 -12.781 5.265) 15.026 2.192 ( -4.987 -6.836 -10.131) 13.200 2.341 ( 3.757 -7.814 2.456) 9.011 2.489 ( 3.373 -4.327 -4.926) 7.373 2.686 ( -0.311 1.251 -5.955) 6.093 2.724 ( 1.954 -7.354 4.410) 8.795 2.842 ( 4.591 -4.479 -4.611) 7.900 3.002 ( 0.335 -4.283 -4.395) 6.146 3.111 ( 2.889 -2.346 7.091) 8.008 3.230 ( 0.606 2.106 4.299) 4.825 3.488 ( 1.194 0.202 -0.266) 1.240 3.531 ( -3.308 -6.950 -2.506) 8.094 3.634 ( -2.143 5.627 7.617) 9.709 3.721 ( -2.863 -2.683 2.046) 4.424 3.952 ( -1.392 3.102 -6.863) 7.659 4.016 ( 0.872 -1.716 -9.111) 9.312 4.143 ( 2.514 -2.861 3.578) 5.226 4.198 ( -2.819 -3.449 0.472) 4.480 4.496 ( -4.601 -1.544 -2.127) 5.299 4.544 ( 5.074 -4.940 -5.703) 9.092 4.828 ( 3.996 1.648 1.098) 4.460 4.944 ( -3.564 -2.701 -2.835) 5.295 5.071 ( 3.378 5.326 5.071) 8.093 5.273 ( -4.199 1.122 3.203) 5.399 5.303 ( -1.190 2.121 0.938) 2.606 5.430 ( -3.475 1.255 9.768) 10.444 5.564 ( -0.997 1.141 -6.409) 6.586 5.667 ( 4.812 1.373 0.159) 5.006 5.709 ( 2.419 3.993 2.329) 5.217 5.834 ( 3.376 5.050 -0.722) 6.117 5.989 ( 9.649 2.923 4.495) 11.039 6.134 ( -7.755 5.143 2.036) 9.526 6.257 ( 0.407 -5.698 3.687) 6.799 6.393 ( 1.655 3.015 4.769) 5.880 6.557 ( -1.753 -3.072 -2.893) 4.570 6.837 ( -2.608 3.690 -10.865) 11.767 7.509 ( -1.933 5.538 4.229) 7.231 7.670 ( 1.389 5.509 -4.066) 6.986 7.778 ( 1.618 -2.225 1.463) 3.116 7.835 ( -0.821 1.491 -0.077) 1.704 7.951 ( -0.407 3.657 1.413) 3.942 7.979 ( 3.381 -0.284 0.851) 3.498 8.130 ( 1.427 -0.443 4.469) 4.712 8.267 ( -5.617 4.069 -0.464) 6.952 8.895 ( 4.750 -10.589 14.473) 18.551 9.029 ( -4.488 -6.346 1.193) 7.864 9.177 ( -2.229 -6.572 -8.408) 10.902 9.706 ( -4.489 -6.554 -14.670) 16.683 9.804 ( 1.891 5.925 2.362) 6.653 9.955 ( 3.722 -1.621 -8.326) 9.263 10.338 ( 0.743 -4.588 5.099) 6.900 10.352 ( -2.979 0.101 -0.521) 3.026 10.416 ( 6.605 -0.543 -4.352) 7.928 10.700 ( -4.808 -2.903 0.905) 5.689 10.754 ( -0.717 -6.350 -1.610) 6.590 10.941 ( 2.132 -7.276 -6.512) 9.994 11.396 ( -5.224 3.337 9.321) 11.194 11.503 ( -3.012 7.709 3.511) 8.990 11.550 ( 1.032 2.835 6.940) 7.567 11.705 ( 1.843 -0.271 1.125) 2.176 12.008 ( -3.175 0.823 -6.913) 7.652 12.118 ( 6.012 6.176 -7.648) 11.523 12.374 ( -4.636 4.440 8.201) 10.414 12.558 ( 0.094 5.730 0.612) 5.763 12.642 ( 1.013 3.577 -3.641) 5.203 12.857 ( -1.702 3.063 -9.509) 10.134 13.187 ( 2.740 -4.190 2.908) 5.790 13.295 ( 1.608 -1.418 -2.397) 3.216 13.659 ( -1.556 -1.045 4.002) 4.419 13.742 ( 3.199 -0.842 0.900) 3.428 14.220 ( -1.057 -9.682 6.390) 11.649 14.414 ( -1.404 -12.901 -2.964) 13.311 16.628 ( -5.075 16.810 5.172) 18.305 16.814 ( 9.387 12.544 -1.887) 15.781 17.019 ( -2.017 -0.660 7.332) 7.633 17.296 ( 2.977 -0.474 -5.779) 6.518 20.493 ( -3.241 0.953 5.204) 6.204 20.850 ( 2.546 3.665 -9.767) 10.738 21.131 ( 0.237 -0.956 1.781) 2.035 21.267 ( -5.353 -2.412 -4.822) 7.598 21.388 ( 1.905 -0.138 3.506) 3.993 21.619 ( -5.768 0.608 -8.608) 10.380 22.506 ( 1.756 -1.528 8.353) 8.671 22.741 ( 1.927 -6.625 2.663) 7.395 22.752 ( 4.305 -6.519 4.518) 9.024 23.009 ( -2.873 -8.418 -1.568) 9.031 23.292 ( 2.992 -1.670 -1.383) 3.695 23.397 ( -2.433 -3.162 -4.502) 6.015 23.578 ( 0.596 0.888 2.379) 2.609 23.625 ( -0.338 0.449 0.141) 0.579 23.969 ( -1.464 5.977 10.381) 12.067 24.397 ( 3.041 15.476 -9.572) 18.449 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( -4.443 -8.153 8.183) 12.376 1.782 ( -6.650 -8.327 1.287) 10.734 1.873 ( -9.292 1.965 -4.762) 10.624 2.164 ( 0.706 -9.626 3.110) 10.140 2.302 ( -1.439 -13.241 -6.336) 14.749 2.378 ( 7.940 -6.278 -0.163) 10.123 2.489 ( 0.714 -4.829 0.204) 4.885 2.620 ( 3.298 -2.849 -5.197) 6.783 2.664 ( 3.212 -5.674 6.464) 9.182 2.856 ( 4.440 -3.319 4.659) 7.241 3.006 ( 2.415 -10.529 -7.314) 13.045 3.038 ( -1.274 2.766 -6.710) 7.369 3.139 ( 0.713 -0.805 3.915) 4.060 3.260 ( 2.076 -2.698 -0.052) 3.405 3.516 ( -2.648 6.381 5.919) 9.098 3.531 ( -2.354 -0.825 0.426) 2.531 3.628 ( 1.679 -1.886 3.273) 4.134 3.740 ( 0.625 0.576 -1.823) 2.012 3.831 ( 0.872 -0.184 -7.620) 7.672 3.969 ( 1.990 2.764 -5.741) 6.676 4.182 ( -8.586 -0.638 2.872) 9.076 4.270 ( -6.794 -7.212 2.753) 10.284 4.498 ( 1.454 -1.579 -1.438) 2.584 4.618 ( 4.646 -2.109 -4.445) 6.766 4.924 ( -5.245 -2.173 -4.041) 6.968 4.944 ( 11.305 0.259 3.435) 11.819 5.076 ( 4.127 -1.253 7.513) 8.664 5.187 ( -6.388 1.127 -1.780) 6.727 5.318 ( 0.682 1.156 2.352) 2.708 5.412 ( -5.279 2.189 8.923) 10.596 5.467 ( -2.115 3.981 -7.006) 8.331 5.627 ( -0.203 2.063 -1.399) 2.501 5.654 ( 1.445 4.276 4.438) 6.330 5.779 ( 0.712 2.273 -5.482) 5.977 5.970 ( -2.278 3.318 1.989) 4.490 6.081 ( 5.847 1.655 1.595) 6.282 6.330 ( -1.990 4.013 0.281) 4.488 6.394 ( 5.540 -1.043 1.938) 5.961 6.570 ( -1.171 -0.594 2.748) 3.046 6.724 ( -2.271 -0.545 -7.354) 7.716 7.452 ( 1.381 2.335 2.750) 3.863 7.554 ( 0.204 4.534 -4.759) 6.576 7.734 ( -3.253 6.586 1.778) 7.558 7.750 ( -3.880 1.934 2.347) 4.930 7.960 ( 3.032 0.609 0.635) 3.157 8.029 ( 2.957 -1.489 -2.516) 4.159 8.162 ( 0.667 0.107 4.442) 4.493 8.199 ( -0.774 -1.232 0.092) 1.458 9.025 ( -11.230 -2.098 4.099) 12.138 9.138 ( 5.411 -5.087 3.120) 8.055 9.371 ( 4.083 -9.422 7.765) 12.874 9.589 ( -10.368 5.192 -6.526) 13.306 9.726 ( 0.769 3.482 3.003) 4.662 10.048 ( 10.687 -6.889 -16.244) 20.629 10.319 ( -1.574 0.292 -0.878) 1.826 10.445 ( 1.532 -4.140 0.349) 4.429 10.482 ( 6.878 -0.234 -2.293) 7.254 10.681 ( -1.471 0.610 -4.658) 4.923 10.855 ( -6.007 -6.675 2.663) 9.367 11.104 ( 6.682 -4.124 -2.218) 8.160 11.280 ( -3.478 6.771 8.141) 11.146 11.367 ( -3.393 1.913 0.428) 3.918 11.601 ( -2.132 -3.624 5.057) 6.577 11.712 ( 1.112 0.710 -0.301) 1.354 11.978 ( -1.750 -1.928 -4.590) 5.277 12.030 ( 3.503 3.790 -2.596) 5.776 12.333 ( -3.086 1.549 7.460) 8.220 12.464 ( 3.911 5.464 0.122) 6.720 12.600 ( 0.121 0.328 -0.190) 0.398 12.770 ( -1.198 -1.379 -9.513) 9.687 13.245 ( -3.990 -0.323 2.079) 4.511 13.305 ( -2.604 -1.073 -1.870) 3.381 13.657 ( -2.483 -0.082 2.008) 3.194 13.838 ( 10.590 -1.566 0.002) 10.705 14.387 ( -6.455 -7.612 6.122) 11.709 14.645 ( 9.392 -9.804 -2.160) 13.748 16.265 ( -12.371 16.128 4.665) 20.855 16.619 ( 6.596 12.346 -4.940) 14.844 17.061 ( 0.404 -0.164 5.362) 5.379 17.294 ( 2.680 -0.240 -6.283) 6.835 20.488 ( -3.405 -0.183 6.865) 7.665 20.774 ( 2.858 1.364 -8.433) 9.008 21.184 ( 1.771 -0.815 3.530) 4.032 21.235 ( -3.501 -1.042 -3.441) 5.018 21.444 ( 1.977 -1.867 3.775) 4.653 21.536 ( -2.510 0.148 -4.773) 5.395 22.579 ( -1.609 -1.400 6.515) 6.855 22.807 ( 2.823 -2.917 -5.834) 7.107 22.988 ( 2.551 -6.950 7.045) 10.220 23.127 ( -0.482 -7.825 -3.505) 8.588 23.352 ( 2.166 -2.060 1.402) 3.302 23.412 ( -1.396 -2.940 -4.379) 5.456 23.585 ( 1.616 0.549 2.183) 2.771 23.607 ( -0.427 0.990 -0.719) 1.296 23.872 ( -2.674 7.026 6.168) 9.724 24.070 ( -1.280 14.706 -5.870) 15.886 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -4.074 7.497 9.972) 13.125 1.848 ( -7.692 -3.786 5.685) 10.287 1.903 ( 1.155 -5.392 1.271) 5.659 2.271 ( 0.305 -2.350 -5.620) 6.099 2.408 ( 2.153 -0.426 -8.601) 8.876 2.494 ( 1.098 0.421 5.256) 5.386 2.588 ( 3.121 -4.447 1.242) 5.573 2.644 ( 9.257 -1.423 -2.551) 9.707 2.860 ( -4.401 -3.302 4.896) 7.365 2.924 ( -4.412 1.164 -8.423) 9.580 2.959 ( 3.202 1.549 1.600) 3.900 3.080 ( -1.243 -4.380 -2.436) 5.163 3.141 ( -1.707 -4.065 -5.657) 7.172 3.324 ( -1.383 2.129 1.165) 2.793 3.375 ( -6.507 4.300 0.128) 7.800 3.578 ( -1.258 6.156 5.792) 8.545 3.604 ( 9.527 -4.564 0.170) 10.565 3.757 ( 5.254 2.487 -0.030) 5.813 3.857 ( 3.978 0.812 -2.987) 5.040 3.932 ( 4.263 0.731 -2.759) 5.130 4.114 ( -7.711 0.662 6.509) 10.113 4.356 ( -5.502 -5.713 5.648) 9.737 4.534 ( 2.370 -0.787 -3.697) 4.462 4.661 ( 0.381 -0.973 -3.927) 4.064 4.855 ( -3.068 1.948 -5.949) 6.971 4.976 ( 7.361 6.432 3.196) 10.284 5.112 ( -5.826 -1.106 -1.877) 6.220 5.196 ( 2.617 -1.433 5.483) 6.243 5.321 ( -5.949 2.688 1.737) 6.755 5.370 ( 3.861 -3.631 2.874) 6.029 5.397 ( -3.637 -1.717 -1.885) 4.442 5.587 ( 1.022 2.400 -2.008) 3.292 5.624 ( -3.452 2.757 4.774) 6.504 5.708 ( -0.996 0.552 -2.574) 2.815 5.921 ( 1.369 1.678 -2.893) 3.613 6.102 ( 4.976 2.820 1.926) 6.035 6.239 ( -0.568 4.053 -0.726) 4.157 6.373 ( -0.141 0.736 -5.701) 5.750 6.648 ( 3.165 -2.380 6.898) 7.954 6.726 ( 0.601 -2.448 -2.770) 3.745 7.468 ( -0.773 -0.229 -2.734) 2.851 7.481 ( 1.152 -0.821 0.806) 1.628 7.614 ( -3.176 3.272 0.562) 4.594 7.735 ( -0.304 -0.773 2.908) 3.024 7.891 ( -3.281 2.973 -3.493) 5.640 8.103 ( 5.341 -1.750 1.683) 5.867 8.179 ( -2.720 -0.275 -1.817) 3.282 8.262 ( 1.871 -2.935 3.700) 5.079 8.979 ( -10.446 -1.573 3.086) 11.005 9.302 ( 6.557 -4.885 5.426) 9.813 9.353 ( -9.588 6.731 -3.147) 12.130 9.540 ( 3.715 -1.459 3.883) 5.569 9.717 ( -4.057 -1.999 2.253) 5.052 10.196 ( 12.958 -3.899 -6.382) 14.962 10.292 ( -1.493 0.148 -2.979) 3.336 10.467 ( 1.063 3.487 2.368) 4.347 10.530 ( 6.324 -2.045 -9.983) 11.993 10.630 ( 1.303 1.715 -2.302) 3.152 10.893 ( -6.323 -1.948 0.277) 6.622 11.049 ( -2.156 6.473 2.650) 7.319 11.267 ( -3.014 -1.700 6.051) 6.971 11.421 ( 5.427 -2.315 -2.262) 6.318 11.652 ( -3.305 -3.276 -1.522) 4.896 11.727 ( -0.177 -1.787 2.874) 3.389 11.945 ( 0.637 3.512 1.580) 3.903 12.044 ( 2.093 -2.078 1.340) 3.239 12.331 ( -1.334 -0.619 2.288) 2.720 12.441 ( 6.975 1.186 -3.236) 7.780 12.654 ( -3.212 -7.049 4.056) 8.744 12.795 ( -0.871 -5.965 -6.331) 8.742 13.151 ( -9.831 4.202 2.914) 11.082 13.278 ( -3.538 0.094 -2.543) 4.358 13.649 ( 1.175 1.262 -0.301) 1.751 13.934 ( 7.798 0.241 -0.679) 7.832 14.452 ( -8.343 -3.428 3.462) 9.662 14.894 ( 14.021 -6.039 0.432) 15.273 15.916 ( -14.094 10.655 4.422) 18.213 16.465 ( 7.099 6.276 -6.389) 11.428 17.070 ( -0.569 1.886 3.584) 4.090 17.286 ( 3.598 0.424 -5.983) 6.994 20.512 ( -4.283 -1.909 6.245) 7.810 20.766 ( 3.898 -1.464 -5.773) 7.117 21.170 ( -3.126 0.664 -1.378) 3.480 21.244 ( 2.637 0.647 1.849) 3.285 21.519 ( -1.101 -1.189 -2.382) 2.881 21.544 ( 3.571 -4.284 5.598) 7.902 22.585 ( -4.998 0.724 3.797) 6.318 22.823 ( 1.682 0.338 -6.508) 6.730 23.067 ( -5.474 -2.244 -1.268) 6.051 23.233 ( 1.611 -0.755 -1.144) 2.115 23.400 ( 0.227 -1.306 0.257) 1.350 23.460 ( 2.556 -3.118 -0.421) 4.054 23.572 ( -0.639 1.318 -1.730) 2.267 23.634 ( 5.598 -3.092 1.487) 6.566 23.746 ( -2.674 6.125 3.551) 7.568 23.831 ( -0.548 7.374 -0.484) 7.410 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 9.245 0.000 2.619) 9.609 1.121 ( -1.949 -0.000 -6.964) 7.231 1.573 ( 12.692 0.000 2.946) 13.030 1.677 ( -9.075 -0.000 4.549) 10.152 1.979 ( -21.973 -0.000 -9.041) 23.760 2.003 ( -3.909 -0.000 -8.988) 9.801 2.334 ( -1.696 -0.000 1.171) 2.061 2.360 ( 5.000 0.000 -1.757) 5.299 2.552 ( 9.275 0.000 7.600) 11.992 2.740 ( -4.127 -0.000 -3.152) 5.193 2.772 ( 6.530 0.000 -1.757) 6.762 2.905 ( -3.197 -0.000 -1.337) 3.466 3.155 ( -5.252 -0.000 1.305) 5.411 3.247 ( -4.347 -0.000 -3.241) 5.422 3.295 ( 10.811 0.000 6.027) 12.378 3.543 ( -0.583 -0.000 -1.313) 1.437 3.613 ( -5.953 -0.000 -3.870) 7.100 3.744 ( -3.102 -0.000 -8.377) 8.933 3.946 ( -0.718 -0.000 9.720) 9.746 3.995 ( -2.235 -0.000 0.950) 2.428 4.120 ( 15.600 0.000 5.176) 16.436 4.134 ( -2.320 -0.000 -2.858) 3.681 4.438 ( 3.062 0.000 -1.967) 3.639 4.484 ( -6.391 -0.000 -0.691) 6.428 4.890 ( 0.975 0.000 -4.985) 5.079 4.896 ( -2.812 -0.000 -2.821) 3.983 5.179 ( 0.117 0.000 4.710) 4.711 5.332 ( -4.566 -0.000 7.211) 8.535 5.389 ( -0.063 -0.000 -1.907) 1.908 5.474 ( 1.585 0.000 2.122) 2.649 5.580 ( 0.485 0.000 -2.181) 2.235 5.631 ( 0.761 0.000 -3.465) 3.548 5.833 ( 5.441 0.000 13.107) 14.191 5.965 ( 6.275 0.000 4.614) 7.788 6.057 ( 2.408 0.000 -0.338) 2.432 6.088 ( -2.058 -0.000 -0.926) 2.256 6.283 ( -11.668 -0.000 -0.357) 11.674 6.456 ( 2.060 0.000 -6.371) 6.696 6.469 ( 3.168 0.000 9.657) 10.163 6.952 ( 4.158 0.000 -13.083) 13.728 7.667 ( -5.479 -0.000 3.324) 6.409 7.672 ( 0.202 0.000 0.803) 0.828 7.718 ( 3.960 0.000 0.991) 4.082 7.842 ( 0.114 0.000 -3.014) 3.016 7.941 ( -3.249 -0.000 0.724) 3.328 7.998 ( 4.175 0.000 -2.077) 4.663 8.170 ( 3.986 0.000 5.126) 6.493 8.368 ( -4.335 -0.000 -1.124) 4.479 8.648 ( -1.271 -0.000 14.444) 14.500 8.813 ( -2.621 -0.000 -2.202) 3.423 9.062 ( -4.481 -0.000 -9.891) 10.859 9.425 ( 2.242 0.000 -20.214) 20.338 9.966 ( 3.820 0.000 5.057) 6.338 9.985 ( -5.407 -0.000 0.226) 5.412 10.234 ( 0.123 0.000 5.800) 5.801 10.313 ( -3.427 -0.000 2.095) 4.017 10.472 ( 3.899 0.000 -5.941) 7.106 10.585 ( -8.663 -0.000 2.348) 8.976 10.645 ( 7.178 0.000 -1.563) 7.346 10.769 ( -3.071 -0.000 -15.615) 15.914 11.419 ( -2.505 -0.000 13.971) 14.194 11.657 ( -0.432 -0.000 4.963) 4.982 11.660 ( 0.278 0.000 4.814) 4.822 11.755 ( 4.312 0.000 4.048) 5.914 12.081 ( -4.598 -0.000 -6.542) 7.996 12.286 ( 1.204 0.000 -10.912) 10.978 12.536 ( -5.534 -0.000 1.985) 5.880 12.612 ( 0.661 0.000 9.483) 9.506 12.762 ( 4.077 0.000 -8.210) 9.167 12.850 ( -1.726 -0.000 -1.518) 2.299 13.259 ( 7.769 0.000 -1.695) 7.952 13.266 ( -0.134 -0.000 -3.322) 3.325 13.643 ( 2.759 0.000 2.266) 3.570 13.702 ( -0.852 -0.000 0.098) 0.858 13.970 ( 1.275 0.000 3.232) 3.475 14.024 ( -5.449 -0.000 0.474) 5.470 16.927 ( -5.880 -0.000 5.119) 7.796 17.067 ( -9.700 -0.000 8.673) 13.012 17.090 ( 15.061 0.000 -1.113) 15.102 17.319 ( 8.562 0.000 -2.976) 9.065 20.516 ( -2.720 -0.000 5.374) 6.023 20.948 ( 1.876 0.000 -9.777) 9.955 21.135 ( -1.913 -0.000 -2.249) 2.952 21.189 ( -6.249 -0.000 -5.100) 8.066 21.416 ( -3.461 -0.000 1.938) 3.966 21.575 ( -0.261 -0.000 -7.977) 7.981 22.516 ( -1.762 -0.000 12.104) 12.231 22.561 ( 5.083 0.000 3.991) 6.463 22.587 ( 1.279 0.000 3.229) 3.473 22.832 ( -1.179 -0.000 -1.590) 1.979 23.255 ( 3.569 0.000 -3.178) 4.778 23.322 ( -3.442 -0.000 -4.305) 5.512 23.600 ( 0.031 0.000 2.197) 2.198 23.630 ( 0.136 0.000 0.618) 0.632 24.106 ( -2.693 -0.000 16.220) 16.442 24.742 ( 8.391 0.000 -13.138) 15.589 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 2.335 -13.947 5.657) 15.231 1.308 ( -3.633 -17.638 -13.390) 22.441 1.695 ( -6.318 -8.115 3.425) 10.840 1.747 ( -11.411 -4.582 -3.397) 12.757 1.904 ( 2.621 -14.096 9.751) 17.340 2.057 ( -0.730 -9.434 -2.999) 9.926 2.290 ( -6.617 2.982 -1.348) 7.382 2.375 ( -0.191 -3.459 -2.505) 4.275 2.635 ( -1.550 -3.233 -0.620) 3.639 2.722 ( 6.259 0.819 3.433) 7.185 2.864 ( 8.740 -1.702 -2.478) 9.242 2.898 ( 1.283 -3.798 -7.974) 8.925 3.152 ( 2.240 1.060 5.104) 5.674 3.243 ( -0.217 -4.623 -2.793) 5.405 3.398 ( 0.865 -0.458 6.100) 6.178 3.489 ( -3.160 1.652 -3.554) 5.034 3.573 ( -7.405 -4.338 -0.055) 8.582 3.756 ( 0.063 -3.555 -0.691) 3.622 3.896 ( -3.274 2.460 2.466) 4.781 4.030 ( 0.235 1.043 1.791) 2.086 4.106 ( -1.911 -0.203 -1.377) 2.364 4.238 ( 9.028 3.083 -0.986) 9.591 4.439 ( -1.461 -0.841 -2.264) 2.823 4.493 ( 5.887 -2.830 0.028) 6.532 4.862 ( -2.646 -0.207 -3.358) 4.280 4.887 ( 4.311 -0.369 -0.660) 4.376 5.169 ( -2.231 1.651 3.119) 4.175 5.298 ( -5.722 0.640 -0.599) 5.789 5.347 ( 0.939 3.830 6.116) 7.277 5.484 ( -0.693 2.627 3.079) 4.106 5.563 ( 2.827 1.439 -3.111) 4.443 5.654 ( 2.519 -3.569 -3.791) 5.783 5.843 ( -0.877 6.365 6.837) 9.382 5.949 ( -1.743 5.911 -2.526) 6.661 6.086 ( -8.332 -0.106 -3.135) 8.903 6.147 ( 7.164 -1.948 2.110) 7.717 6.182 ( -1.221 -2.832 9.307) 9.805 6.456 ( 2.897 0.837 -3.849) 4.889 6.536 ( 2.181 -0.517 8.207) 8.507 6.835 ( -2.187 5.319 -14.565) 15.659 7.610 ( -2.552 4.245 5.421) 7.343 7.713 ( -2.831 -2.429 -0.356) 3.747 7.755 ( 3.458 -0.075 -0.767) 3.543 7.812 ( 2.567 0.214 -3.402) 4.267 7.951 ( -3.797 -3.277 1.487) 5.232 8.019 ( 0.641 1.115 -0.887) 1.562 8.205 ( 3.024 2.572 5.646) 6.902 8.289 ( -3.427 2.636 -2.174) 4.840 8.821 ( -0.991 -8.234 16.513) 18.478 8.880 ( 5.009 -7.045 1.575) 8.787 9.013 ( -0.933 -3.373 -9.660) 10.274 9.443 ( 5.114 -8.992 -19.853) 22.386 9.920 ( -5.808 1.310 -1.059) 6.047 9.966 ( 2.122 4.665 4.528) 6.838 10.282 ( 1.494 -1.789 2.476) 3.400 10.349 ( -1.313 -2.164 5.840) 6.365 10.453 ( 5.092 1.315 -4.637) 7.012 10.548 ( -10.176 -3.981 1.194) 10.992 10.629 ( -3.710 -2.806 -8.760) 9.918 10.837 ( 10.458 -6.273 -4.097) 12.865 11.456 ( -3.863 1.485 12.957) 13.602 11.620 ( -2.537 4.872 3.352) 6.435 11.683 ( -1.169 2.712 6.650) 7.277 11.746 ( 3.228 3.634 1.002) 4.962 11.967 ( -6.378 2.495 -6.762) 9.625 12.206 ( 2.960 3.349 -10.284) 11.213 12.443 ( -7.183 4.351 5.198) 9.877 12.659 ( 1.605 1.172 6.978) 7.256 12.710 ( 3.951 5.383 -5.903) 8.912 12.850 ( -0.749 0.074 -4.991) 5.047 13.198 ( 0.856 2.696 -1.524) 3.213 13.274 ( 2.101 1.127 -3.265) 4.043 13.664 ( -0.051 0.463 2.752) 2.791 13.741 ( 3.424 -3.669 -0.334) 5.030 14.059 ( -2.822 -7.593 3.034) 8.650 14.183 ( 7.770 -12.792 0.446) 14.974 16.792 ( -14.283 8.612 3.011) 16.948 17.025 ( -6.084 1.112 7.249) 9.529 17.131 ( 12.030 5.487 -2.678) 13.490 17.330 ( 8.529 5.762 -3.083) 10.744 20.520 ( -2.626 1.098 8.000) 8.492 20.874 ( 1.861 2.691 -12.556) 12.975 21.120 ( -0.581 -1.127 2.038) 2.401 21.151 ( -3.950 -2.290 -2.778) 5.344 21.411 ( -2.175 -1.093 2.509) 3.496 21.554 ( 0.901 0.147 -4.914) 4.998 22.539 ( -0.879 -0.093 4.838) 4.918 22.648 ( 1.710 -4.660 0.156) 4.966 22.703 ( 3.870 -5.895 8.753) 11.241 22.855 ( -1.514 -4.517 -2.923) 5.590 23.277 ( -0.765 -1.331 -2.417) 2.863 23.300 ( 0.651 -2.324 -3.218) 4.022 23.607 ( 0.332 0.496 1.956) 2.045 23.632 ( 0.192 0.302 0.007) 0.358 24.114 ( -4.515 4.491 14.301) 15.655 24.623 ( 4.910 11.218 -14.043) 18.632 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( -5.136 -17.647 2.294) 18.522 1.490 ( -5.551 -14.378 -3.653) 15.839 1.808 ( -12.441 -3.336 9.310) 15.893 1.829 ( -8.006 -16.843 -2.845) 18.865 2.181 ( 4.631 -3.656 4.287) 7.293 2.263 ( 1.381 -14.176 5.134) 15.140 2.312 ( -1.403 -9.687 -1.582) 9.915 2.471 ( 2.707 -9.244 -8.146) 12.615 2.665 ( 2.695 -0.547 -1.529) 3.147 2.810 ( 0.749 -7.603 -1.086) 7.717 2.929 ( 7.874 2.433 -3.093) 8.803 2.987 ( 8.697 -4.845 -5.430) 11.340 3.211 ( -0.749 -1.633 1.502) 2.341 3.236 ( 0.793 2.864 0.666) 3.046 3.437 ( -3.466 -2.294 1.361) 4.373 3.549 ( 2.843 -8.411 1.968) 9.095 3.636 ( -7.352 -8.770 1.843) 11.591 3.737 ( 2.471 6.996 8.619) 11.373 3.849 ( -1.095 5.454 -5.337) 7.709 3.983 ( 2.666 -0.305 -3.944) 4.770 4.110 ( -6.057 -0.928 6.747) 9.114 4.162 ( -2.860 2.082 -4.420) 5.661 4.464 ( 1.724 -2.563 -4.216) 5.226 4.614 ( 7.561 -2.072 -1.055) 7.910 4.831 ( -3.243 -0.888 -2.702) 4.314 4.986 ( 8.379 -3.433 1.769) 9.226 5.110 ( -5.070 1.571 1.252) 5.453 5.244 ( 2.567 3.061 -0.610) 4.041 5.344 ( -0.870 1.517 6.975) 7.191 5.432 ( -3.854 1.854 4.766) 6.404 5.534 ( 2.367 3.908 -2.749) 5.332 5.668 ( -3.260 5.102 -1.815) 6.321 5.744 ( -0.416 0.414 1.424) 1.540 5.813 ( -0.561 4.362 -3.544) 5.648 5.932 ( -9.930 1.519 -6.482) 11.956 6.192 ( 2.418 1.242 6.327) 6.886 6.374 ( 5.516 0.679 2.965) 6.299 6.439 ( 3.404 -0.328 -0.700) 3.491 6.589 ( 0.250 0.536 3.025) 3.083 6.661 ( -1.657 0.317 -6.833) 7.039 7.551 ( 1.903 4.541 4.269) 6.516 7.657 ( 1.287 6.314 -3.417) 7.294 7.699 ( -7.132 -0.040 -0.329) 7.139 7.847 ( -1.463 5.261 0.002) 5.460 7.957 ( 1.316 -3.525 -0.262) 3.772 8.027 ( 1.802 -0.875 -0.011) 2.003 8.157 ( -3.675 1.449 -2.287) 4.565 8.267 ( 4.364 2.526 6.066) 7.888 8.917 ( -8.381 -2.837 4.273) 9.826 9.047 ( 0.877 -8.353 -1.051) 8.465 9.219 ( 6.986 -10.028 5.841) 13.545 9.554 ( 1.532 -3.012 -6.654) 7.463 9.837 ( -1.105 4.366 1.003) 4.614 9.957 ( 8.738 -3.825 -8.312) 12.653 10.301 ( -0.518 0.351 -3.137) 3.199 10.416 ( 3.108 -2.319 4.277) 5.773 10.459 ( -2.386 -2.503 -2.379) 4.197 10.602 ( -4.251 -4.089 -2.749) 6.507 10.692 ( 2.906 -8.588 2.714) 9.463 11.041 ( 8.630 -7.748 -2.558) 11.877 11.403 ( -6.235 5.865 8.012) 11.725 11.446 ( -7.065 9.178 3.668) 12.150 11.635 ( -0.005 3.529 6.916) 7.765 11.735 ( 2.266 0.620 -2.560) 3.475 11.886 ( -2.861 -2.213 -4.243) 5.575 12.112 ( 2.512 3.931 -6.617) 8.096 12.369 ( -5.658 1.436 7.670) 9.638 12.585 ( 1.619 7.876 -0.470) 8.055 12.673 ( 3.223 1.928 2.487) 4.505 12.754 ( 1.428 5.254 -8.028) 9.700 13.193 ( -2.835 -2.195 -0.189) 3.590 13.251 ( -3.156 -0.324 -2.755) 4.202 13.660 ( -0.024 0.192 0.675) 0.702 13.869 ( 8.280 -3.660 -0.290) 9.057 14.212 ( -3.338 -9.049 2.991) 10.098 14.524 ( 13.277 -13.059 0.699) 18.636 16.450 ( -16.272 14.572 1.284) 21.881 16.883 ( -4.345 12.685 2.642) 13.666 17.127 ( 8.471 3.084 0.259) 9.018 17.275 ( 2.055 0.877 -6.109) 6.505 20.513 ( -3.173 1.767 8.596) 9.332 20.785 ( 2.992 2.059 -9.664) 10.325 21.139 ( -3.977 -1.949 -1.720) 4.751 21.205 ( 3.073 -2.853 4.828) 6.395 21.423 ( -3.562 -1.862 -0.731) 4.085 21.555 ( 6.276 1.286 1.907) 6.685 22.567 ( -2.337 -1.234 3.906) 4.716 22.728 ( 2.117 -4.443 -4.819) 6.888 22.895 ( -1.481 -5.243 -0.433) 5.466 22.972 ( 4.931 -10.328 3.386) 11.936 23.278 ( -4.118 -3.487 -4.457) 6.999 23.364 ( 3.552 -2.468 0.739) 4.387 23.610 ( 0.164 0.532 0.900) 1.058 23.623 ( 0.811 0.692 0.005) 1.066 24.025 ( -4.934 7.531 10.274) 13.660 24.298 ( -2.092 15.933 -11.336) 19.666 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( -7.688 -13.356 -0.171) 15.411 1.718 ( -12.002 -6.641 9.541) 16.708 1.771 ( 1.237 -3.999 12.935) 13.596 2.136 ( -0.408 -15.588 -0.908) 15.619 2.273 ( -0.157 -4.752 -7.945) 9.259 2.463 ( 0.668 -6.984 -1.152) 7.109 2.498 ( 1.464 -7.027 -0.241) 7.182 2.603 ( 4.698 -5.054 -7.794) 10.410 2.761 ( 0.960 -6.897 3.614) 7.845 2.888 ( 1.221 1.859 -6.567) 6.933 2.971 ( 1.267 -7.572 -1.547) 7.831 3.061 ( 6.249 2.601 0.807) 6.816 3.143 ( -1.927 8.746 -3.850) 9.748 3.273 ( 1.016 -5.359 0.723) 5.502 3.448 ( -2.675 0.018 -0.055) 2.675 3.576 ( -1.353 5.708 1.693) 6.106 3.729 ( 5.363 -0.177 4.594) 7.064 3.797 ( 3.538 -4.163 2.253) 5.910 3.852 ( 3.584 -9.082 2.476) 10.073 3.946 ( 3.532 3.613 -5.476) 7.451 4.083 ( -7.391 1.896 3.227) 8.285 4.175 ( -5.567 -7.319 8.695) 12.655 4.510 ( -0.204 -3.722 -5.781) 6.879 4.652 ( 3.187 1.420 -2.591) 4.346 4.805 ( -2.093 -0.642 -4.501) 5.005 5.028 ( -4.948 -0.866 -2.582) 5.648 5.137 ( 4.040 0.200 -0.179) 4.049 5.222 ( 2.104 1.948 6.589) 7.186 5.348 ( 3.286 1.245 1.238) 3.726 5.378 ( -5.546 3.951 2.802) 7.363 5.402 ( -2.029 4.415 -0.185) 4.863 5.591 ( -2.178 0.014 -0.083) 2.180 5.702 ( -4.040 5.288 0.981) 6.727 5.727 ( -0.372 1.848 -0.175) 1.893 5.892 ( 4.229 -3.560 -8.857) 10.440 6.197 ( 2.611 3.180 4.594) 6.168 6.304 ( -1.331 3.975 -2.579) 4.922 6.376 ( -3.545 3.249 -4.976) 6.919 6.666 ( 1.466 -2.565 0.491) 2.995 6.712 ( 6.050 -1.535 5.889) 8.582 7.501 ( 0.954 5.434 -3.105) 6.331 7.528 ( 1.901 3.874 1.472) 4.560 7.655 ( -4.986 1.117 0.228) 5.115 7.704 ( -4.270 3.346 1.539) 5.639 7.960 ( 1.502 5.195 -3.995) 6.723 8.080 ( 1.965 -4.018 -1.241) 4.642 8.152 ( 0.079 -2.120 1.366) 2.523 8.282 ( 1.535 1.787 4.858) 5.399 8.901 ( -6.410 -1.144 3.130) 7.224 9.228 ( -1.046 -8.883 0.786) 8.979 9.354 ( -0.314 0.860 -2.449) 2.614 9.520 ( -1.990 -0.570 6.090) 6.433 9.751 ( -1.293 4.382 1.804) 4.912 10.166 ( 12.876 -8.478 -6.920) 16.898 10.266 ( -0.127 -0.146 -3.115) 3.121 10.470 ( -2.121 -0.983 1.058) 2.566 10.510 ( 3.660 -3.017 -5.334) 7.138 10.620 ( 1.016 -2.642 -3.826) 4.759 10.842 ( 1.542 -0.433 3.476) 3.827 11.130 ( -3.406 2.755 2.140) 4.875 11.259 ( -6.681 2.293 2.882) 7.629 11.404 ( 6.617 -3.093 -0.336) 7.312 11.613 ( -1.904 1.750 3.470) 4.328 11.747 ( 2.444 -0.048 1.959) 3.133 11.943 ( 2.516 -4.979 -1.289) 5.725 12.059 ( 1.197 1.052 -0.146) 1.601 12.348 ( -3.923 1.446 5.721) 7.086 12.463 ( -3.427 2.803 -1.299) 4.614 12.640 ( 4.513 4.373 -5.490) 8.344 12.710 ( 3.501 -1.606 1.139) 4.017 13.157 ( -6.960 2.534 1.675) 7.594 13.225 ( -2.128 -1.557 -3.314) 4.234 13.670 ( 1.548 -0.333 -1.126) 1.943 13.974 ( 5.146 -1.202 -0.782) 5.342 14.341 ( -2.534 -5.450 2.680) 6.581 14.868 ( 14.506 -10.150 1.440) 17.763 16.038 ( -16.643 14.246 1.752) 21.977 16.621 ( -1.912 10.388 -2.565) 10.869 17.127 ( 1.711 2.536 1.394) 3.362 17.270 ( 2.635 -1.379 -6.201) 6.877 20.497 ( -3.898 0.788 6.408) 7.541 20.756 ( 3.773 0.003 -5.535) 6.699 21.128 ( -3.139 -0.965 -0.907) 3.407 21.283 ( 1.797 -0.203 3.368) 3.822 21.443 ( -1.644 -3.994 -1.977) 4.750 21.618 ( 9.314 2.005 7.047) 11.850 22.563 ( -4.561 0.025 0.376) 4.577 22.792 ( 2.255 -2.296 -4.304) 5.374 22.944 ( -3.754 -4.493 -4.158) 7.181 23.206 ( 4.176 -5.116 2.883) 7.205 23.307 ( -1.304 -6.588 -4.246) 7.945 23.443 ( 2.872 -2.092 2.071) 4.112 23.587 ( -0.289 1.384 -1.432) 2.012 23.639 ( 2.209 -0.794 1.260) 2.664 23.872 ( -4.859 8.264 4.592) 10.630 23.971 ( -4.192 10.412 -3.188) 11.668 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -10.288 -0.000 -8.718) 13.486 1.064 ( 6.180 0.000 1.115) 6.280 1.398 ( -25.631 -0.000 -10.151) 27.568 1.739 ( -1.722 -0.000 11.822) 11.947 1.835 ( 1.696 0.000 6.230) 6.456 1.937 ( 9.958 0.000 1.162) 10.025 2.291 ( -13.803 -0.000 -0.347) 13.807 2.297 ( -1.088 -0.000 -1.039) 1.504 2.563 ( -8.126 -0.000 5.153) 9.622 2.757 ( -3.362 -0.000 -10.388) 10.919 2.825 ( 4.808 0.000 3.076) 5.708 2.915 ( 13.175 0.000 -4.098) 13.798 3.190 ( 2.454 0.000 4.711) 5.312 3.232 ( 4.954 0.000 -0.599) 4.990 3.403 ( -6.485 -0.000 -3.957) 7.597 3.461 ( 0.318 0.000 5.204) 5.213 3.589 ( -1.682 -0.000 -10.678) 10.810 3.616 ( 4.889 0.000 7.353) 8.830 3.965 ( -2.593 -0.000 1.426) 2.959 3.990 ( -4.831 -0.000 6.567) 8.152 4.126 ( 2.866 0.000 -3.496) 4.520 4.352 ( 7.788 0.000 -4.973) 9.240 4.388 ( -2.442 -0.000 -3.837) 4.548 4.557 ( 10.162 0.000 5.099) 11.370 4.835 ( 0.074 0.000 -1.258) 1.260 4.924 ( 5.272 0.000 2.336) 5.767 5.161 ( -5.966 -0.000 2.956) 6.658 5.237 ( -7.708 -0.000 1.834) 7.923 5.438 ( 3.334 0.000 2.621) 4.241 5.534 ( 2.804 0.000 2.064) 3.482 5.580 ( -0.681 -0.000 -5.856) 5.895 5.605 ( 1.852 0.000 -1.064) 2.136 5.921 ( -9.655 -0.000 -0.386) 9.663 5.952 ( -6.714 -0.000 -3.577) 7.607 5.998 ( -4.418 -0.000 -3.219) 5.467 6.158 ( -3.674 -0.000 9.648) 10.324 6.174 ( 7.988 0.000 0.527) 8.005 6.524 ( 10.492 0.000 -1.509) 10.600 6.569 ( -3.500 -0.000 10.291) 10.870 6.787 ( -4.292 -0.000 -19.389) 19.858 7.660 ( -0.886 -0.000 -0.150) 0.899 7.688 ( 0.275 0.000 7.546) 7.551 7.724 ( -1.326 -0.000 -2.691) 3.000 7.856 ( 3.449 0.000 -2.351) 4.174 7.878 ( -3.252 -0.000 1.664) 3.653 7.998 ( -1.688 -0.000 -3.370) 3.770 8.241 ( -5.296 -0.000 -3.939) 6.600 8.318 ( 4.542 0.000 5.846) 7.403 8.839 ( -1.582 -0.000 16.693) 16.768 8.863 ( 8.198 0.000 2.192) 8.486 8.963 ( 7.764 0.000 -4.856) 9.157 9.310 ( 6.867 0.000 -15.680) 17.117 9.864 ( -7.496 -0.000 -0.665) 7.525 10.052 ( -0.777 -0.000 4.852) 4.914 10.309 ( -0.419 -0.000 1.468) 1.526 10.346 ( 2.494 0.000 12.164) 12.417 10.420 ( -5.908 -0.000 -1.265) 6.042 10.490 ( -5.086 -0.000 -9.695) 10.948 10.530 ( 3.987 0.000 -2.324) 4.614 10.847 ( 10.275 0.000 -3.139) 10.744 11.508 ( -4.466 -0.000 12.324) 13.109 11.664 ( -3.539 -0.000 2.535) 4.353 11.700 ( 0.715 0.000 0.717) 1.013 11.828 ( 1.467 0.000 -2.320) 2.744 11.911 ( -9.926 -0.000 1.722) 10.074 12.185 ( -0.272 -0.000 -7.876) 7.881 12.464 ( -6.041 -0.000 4.593) 7.589 12.728 ( 1.234 0.000 -7.615) 7.714 12.729 ( 2.518 0.000 7.306) 7.728 12.864 ( 5.482 0.000 -2.388) 5.980 13.193 ( -1.570 -0.000 -6.122) 6.320 13.338 ( 1.197 0.000 -2.389) 2.672 13.643 ( -5.107 -0.000 -3.818) 6.377 13.717 ( 6.596 0.000 2.563) 7.076 14.007 ( 1.532 0.000 2.938) 3.313 14.132 ( 12.221 0.000 2.348) 12.445 16.755 ( -16.844 -0.000 0.990) 16.873 17.016 ( -6.664 -0.000 7.038) 9.692 17.174 ( 3.078 0.000 -6.345) 7.052 17.547 ( 17.436 0.000 -3.878) 17.862 20.575 ( -0.905 -0.000 13.265) 13.296 20.840 ( 1.267 0.000 -13.526) 13.585 21.091 ( -2.382 -0.000 1.263) 2.696 21.128 ( 0.884 0.000 3.766) 3.869 21.375 ( -3.983 -0.000 2.909) 4.932 21.560 ( 3.258 0.000 -3.260) 4.609 22.524 ( -3.270 -0.000 1.818) 3.741 22.624 ( 0.903 0.000 -0.632) 1.102 22.719 ( 3.297 0.000 9.204) 9.777 22.791 ( 0.314 0.000 -4.623) 4.633 23.202 ( -4.898 -0.000 -4.711) 6.796 23.309 ( 4.077 0.000 0.456) 4.103 23.621 ( 0.121 0.000 1.370) 1.375 23.638 ( 0.517 0.000 -0.215) 0.560 24.187 ( -6.848 -0.000 14.747) 16.260 24.699 ( 5.435 0.000 -19.204) 19.958 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -12.407 -17.177 -5.150) 21.806 1.212 ( -8.639 -10.848 3.609) 14.330 1.325 ( -7.278 -19.351 -4.567) 21.173 1.820 ( -8.301 -0.032 15.256) 17.368 1.992 ( -2.305 -12.317 0.063) 12.531 2.105 ( -3.203 -6.332 0.781) 7.139 2.166 ( -0.642 -5.781 5.794) 8.210 2.357 ( 4.680 -3.550 -1.029) 5.964 2.605 ( -2.676 -6.493 1.652) 7.215 2.713 ( 0.642 -2.888 -6.614) 7.245 2.899 ( 1.289 -4.749 -1.049) 5.032 3.021 ( 11.528 0.982 -5.107) 12.647 3.210 ( -1.528 -0.860 1.079) 2.059 3.236 ( -1.414 1.134 -2.695) 3.248 3.391 ( 1.675 -2.418 6.085) 6.759 3.476 ( -1.161 -0.599 3.971) 4.181 3.556 ( 5.698 -0.829 -2.584) 6.312 3.790 ( 2.896 -6.655 2.947) 7.833 3.894 ( -1.057 3.405 2.904) 4.598 4.017 ( -1.718 0.689 -2.240) 2.906 4.075 ( -1.023 1.504 -1.822) 2.575 4.241 ( 1.319 7.549 -4.897) 9.094 4.413 ( -0.713 -0.926 -3.096) 3.309 4.665 ( 8.941 -0.300 1.628) 9.093 4.821 ( 0.504 1.673 0.192) 1.758 5.021 ( 8.395 -1.205 2.554) 8.857 5.096 ( -8.211 1.381 4.357) 9.398 5.224 ( -2.693 -2.465 0.963) 3.776 5.447 ( 1.456 2.521 5.632) 6.340 5.492 ( 0.898 4.744 -0.276) 4.836 5.577 ( 1.516 -0.934 -5.699) 5.971 5.653 ( 0.622 -2.850 -3.049) 4.220 5.771 ( -9.161 5.071 0.160) 10.472 5.841 ( -5.659 2.075 -2.019) 6.357 5.862 ( -5.899 5.153 -5.107) 9.351 6.201 ( -0.445 -2.854 4.980) 5.757 6.382 ( 3.972 -9.272 4.838) 11.187 6.512 ( 2.448 5.273 0.707) 5.856 6.576 ( -4.864 4.450 -16.659) 17.916 6.647 ( 1.859 -2.294 5.038) 5.840 7.614 ( -5.131 0.276 -1.726) 5.420 7.677 ( 2.513 3.396 4.158) 5.928 7.793 ( 1.778 5.619 -2.011) 6.227 7.823 ( 0.704 -6.136 -0.638) 6.210 7.917 ( -1.546 -1.670 0.252) 2.290 7.984 ( -2.053 -2.190 -1.852) 3.528 8.153 ( -3.030 2.473 -1.629) 4.237 8.367 ( 2.724 1.168 4.640) 5.506 8.858 ( -3.154 -0.194 6.665) 7.377 8.966 ( 8.179 -1.383 -2.643) 8.706 9.187 ( 10.368 -7.136 10.156) 16.173 9.413 ( 9.649 -10.953 -9.529) 17.432 9.808 ( -3.450 -1.309 -2.600) 4.513 10.011 ( -1.946 4.035 2.896) 5.334 10.304 ( 0.067 1.006 -1.236) 1.595 10.371 ( -6.861 -0.518 -1.189) 6.983 10.421 ( 0.703 -2.195 -2.838) 3.656 10.494 ( 3.021 -3.588 5.059) 6.898 10.630 ( 7.429 -6.321 8.034) 12.636 10.962 ( 7.271 -5.624 -3.341) 9.781 11.473 ( -8.791 4.231 6.402) 11.669 11.580 ( -4.320 7.066 4.497) 9.424 11.718 ( 1.642 -0.381 -2.033) 2.641 11.777 ( -0.804 6.348 1.721) 6.627 11.800 ( -6.711 -1.050 -1.213) 6.900 12.143 ( 0.553 1.626 -5.586) 5.844 12.399 ( -5.934 3.151 7.172) 9.827 12.708 ( 2.423 0.773 -3.408) 4.252 12.771 ( 2.172 2.573 3.269) 4.693 12.844 ( 5.618 5.979 -2.349) 8.534 13.133 ( -0.998 0.037 -6.184) 6.264 13.244 ( -3.337 4.045 -1.311) 5.405 13.625 ( -5.200 -2.920 -3.289) 6.811 13.850 ( 9.501 -4.670 -0.134) 10.587 14.079 ( 2.278 -4.833 3.432) 6.350 14.402 ( 14.591 -12.829 1.585) 19.493 16.525 ( -17.452 8.508 -1.367) 19.463 16.974 ( -9.277 2.884 7.304) 12.154 17.177 ( 2.970 -1.646 -6.689) 7.502 17.466 ( 9.089 15.371 -10.044) 20.488 20.606 ( -0.844 4.285 13.179) 13.884 20.784 ( 2.617 0.504 -9.833) 10.187 21.094 ( -1.283 -0.370 2.517) 2.849 21.205 ( 3.318 -2.642 7.019) 8.200 21.361 ( -4.430 -0.051 1.335) 4.627 21.630 ( 9.407 -3.683 3.375) 10.651 22.522 ( -3.338 -1.899 -1.025) 3.975 22.646 ( 0.158 -3.037 -1.883) 3.577 22.794 ( 0.445 -2.530 -5.813) 6.355 22.868 ( 4.234 -7.934 6.550) 11.125 23.158 ( -5.149 -2.260 -3.589) 6.671 23.362 ( 3.741 -1.585 1.392) 4.295 23.622 ( -0.092 0.564 0.237) 0.619 23.639 ( 0.813 0.163 -0.032) 0.830 24.150 ( -7.709 4.901 12.106) 15.166 24.475 ( -2.701 13.088 -20.530) 24.496 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.256 ( -7.597 -20.515 6.956) 22.956 1.460 ( -9.436 -17.062 9.875) 21.855 1.731 ( -1.038 -18.601 4.895) 19.262 1.768 ( -12.205 -7.742 8.014) 16.526 2.121 ( -3.047 -5.701 -1.317) 6.597 2.257 ( 1.828 -9.404 -6.722) 11.703 2.425 ( 3.670 -13.253 0.192) 13.753 2.461 ( 4.269 -4.346 -1.976) 6.405 2.723 ( 5.034 -2.271 0.679) 5.564 2.804 ( 0.515 -9.209 -0.094) 9.224 2.959 ( 4.503 6.430 -5.406) 9.532 3.039 ( -1.753 -10.099 -3.007) 10.682 3.182 ( -1.398 1.808 0.769) 2.411 3.285 ( 2.074 -2.139 -1.181) 3.205 3.415 ( -3.090 0.912 2.641) 4.166 3.557 ( 0.589 -3.778 4.680) 6.043 3.673 ( 3.802 -5.660 1.663) 7.018 3.817 ( 1.852 3.996 -1.341) 4.604 3.865 ( 4.523 1.372 -0.706) 4.779 3.977 ( -0.363 -0.351 -2.287) 2.342 4.101 ( -1.393 -1.718 4.600) 5.104 4.143 ( 4.554 1.952 2.325) 5.473 4.363 ( -7.805 -1.373 -5.922) 9.893 4.708 ( 3.951 1.725 -1.780) 4.664 4.804 ( 2.595 1.424 0.691) 3.039 4.983 ( -5.908 2.074 -0.334) 6.271 5.148 ( 3.449 -1.468 3.024) 4.816 5.283 ( 2.461 -1.966 1.454) 3.470 5.417 ( 1.875 3.562 0.174) 4.029 5.423 ( -1.899 3.086 0.804) 3.712 5.505 ( -3.437 7.647 -0.180) 8.386 5.558 ( -6.186 0.814 -0.741) 6.283 5.689 ( -6.732 2.732 -4.007) 8.297 5.755 ( 0.296 -2.541 -2.388) 3.499 5.840 ( 6.692 -1.135 -2.328) 7.176 6.257 ( -5.251 -1.652 0.541) 5.531 6.328 ( -1.376 5.580 -4.736) 7.447 6.421 ( 0.952 4.949 -3.392) 6.075 6.617 ( 1.684 -4.643 1.483) 5.156 6.745 ( 4.076 -3.257 4.663) 6.998 7.559 ( -5.160 -0.082 -1.620) 5.409 7.639 ( 0.288 7.717 -1.387) 7.846 7.673 ( 3.795 4.707 2.436) 6.518 7.800 ( -1.939 6.224 -1.924) 6.797 7.964 ( 0.513 -5.184 -1.319) 5.373 8.024 ( 0.148 -1.231 -1.824) 2.206 8.126 ( -0.259 -1.238 1.605) 2.043 8.368 ( 0.784 2.721 4.047) 4.939 8.865 ( -2.253 -0.268 5.029) 5.517 9.089 ( 6.584 -5.625 -0.935) 8.710 9.354 ( 4.326 -2.444 1.141) 5.098 9.534 ( -4.114 0.486 5.441) 6.838 9.810 ( -5.501 2.850 1.491) 6.372 10.043 ( 8.575 -8.359 -8.093) 14.454 10.257 ( 0.511 0.776 -2.784) 2.935 10.355 ( -3.361 -3.320 -2.038) 5.146 10.512 ( 1.584 -6.652 -2.123) 7.160 10.566 ( 5.810 0.431 1.427) 5.999 10.887 ( 8.809 -3.030 4.243) 10.236 11.113 ( 1.616 -4.578 3.215) 5.822 11.272 ( -12.255 7.120 2.923) 14.471 11.456 ( 1.705 4.213 2.083) 5.000 11.681 ( -1.458 3.749 2.998) 5.016 11.758 ( 4.931 -2.963 0.606) 5.785 11.847 ( 1.239 -5.685 -1.216) 5.945 12.078 ( -0.141 2.143 -2.492) 3.290 12.342 ( -7.322 1.659 7.428) 10.561 12.621 ( 2.236 11.445 2.827) 12.000 12.710 ( 3.651 4.719 -5.296) 7.978 12.795 ( 5.804 1.824 1.623) 6.297 13.135 ( -2.160 -1.788 -1.479) 3.170 13.167 ( -2.036 0.322 -2.752) 3.439 13.629 ( -2.549 -3.206 -3.357) 5.296 13.976 ( 4.670 -2.023 -1.072) 5.201 14.240 ( 3.527 -6.920 2.567) 8.180 14.784 ( 14.532 -12.787 1.406) 19.407 16.158 ( -17.213 13.520 -1.505) 21.939 16.767 ( -12.688 11.262 2.688) 17.177 17.208 ( 4.573 1.033 -6.323) 7.871 17.226 ( -0.415 3.091 -7.282) 7.922 20.557 ( -2.321 4.678 8.362) 9.859 20.762 ( 3.035 0.322 -5.070) 5.918 21.104 ( -0.688 0.157 3.092) 3.171 21.295 ( -0.169 -0.963 2.240) 2.444 21.350 ( -1.903 -3.275 1.087) 3.941 21.817 ( 16.317 2.477 9.851) 19.220 22.509 ( -3.679 -1.295 -4.333) 5.830 22.729 ( 2.387 -5.388 -1.504) 6.082 22.822 ( -0.048 -3.352 -5.086) 6.092 23.109 ( 2.363 -10.933 -1.957) 11.355 23.166 ( -1.585 -3.663 1.821) 4.387 23.436 ( 2.907 -2.232 1.664) 4.025 23.601 ( -0.190 1.173 -1.161) 1.661 23.649 ( 1.087 -0.297 0.562) 1.260 23.995 ( -9.040 9.060 0.636) 12.814 24.091 ( -9.211 10.397 -5.176) 14.824 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( -14.645 -0.000 -3.252) 15.002 0.902 ( -22.839 -0.000 4.743) 23.326 1.163 ( 4.687 0.000 1.531) 4.931 1.782 ( -23.764 -0.000 14.608) 27.895 1.862 ( 1.511 0.000 0.073) 1.512 2.048 ( -5.576 -0.000 7.518) 9.360 2.078 ( 1.700 0.000 -2.077) 2.684 2.408 ( 9.350 0.000 8.805) 12.844 2.518 ( -5.318 -0.000 4.484) 6.956 2.614 ( -0.465 -0.000 -10.792) 10.802 2.886 ( 1.911 0.000 1.201) 2.257 3.107 ( 14.629 0.000 -4.828) 15.405 3.172 ( -6.290 -0.000 1.390) 6.442 3.283 ( 2.862 0.000 3.637) 4.629 3.371 ( 0.910 0.000 -8.178) 8.229 3.453 ( -4.651 -0.000 0.389) 4.667 3.646 ( 14.400 0.000 1.126) 14.444 3.755 ( 1.686 0.000 5.771) 6.012 3.931 ( -1.584 -0.000 -2.095) 2.627 3.960 ( -1.410 -0.000 -0.586) 1.527 4.084 ( -1.022 -0.000 -5.710) 5.801 4.340 ( -0.838 -0.000 -1.573) 1.782 4.374 ( 2.593 0.000 -2.874) 3.872 4.744 ( 7.273 0.000 1.946) 7.529 4.867 ( 0.271 0.000 0.489) 0.560 5.058 ( -8.305 -0.000 8.535) 11.908 5.118 ( 9.634 0.000 -0.525) 9.648 5.184 ( -1.718 -0.000 4.265) 4.599 5.471 ( -2.383 -0.000 -6.976) 7.371 5.519 ( -6.040 -0.000 -8.693) 10.585 5.533 ( 3.890 0.000 1.808) 4.290 5.647 ( 6.109 0.000 7.761) 9.877 5.744 ( -7.340 -0.000 3.266) 8.034 5.800 ( -3.779 -0.000 -5.727) 6.862 5.899 ( -4.519 -0.000 -0.354) 4.533 6.207 ( -7.799 -0.000 -5.173) 9.359 6.226 ( -2.829 -0.000 10.629) 10.999 6.487 ( 1.093 0.000 -17.241) 17.275 6.566 ( -8.721 -0.000 7.920) 11.780 6.684 ( 8.624 0.000 -2.699) 9.036 7.616 ( -3.540 -0.000 -3.163) 4.747 7.634 ( -1.098 -0.000 -1.464) 1.830 7.813 ( -2.162 -0.000 1.909) 2.884 7.875 ( 2.947 0.000 5.595) 6.324 7.888 ( 1.174 0.000 -2.023) 2.339 7.910 ( -0.298 -0.000 -4.718) 4.728 8.155 ( -1.898 -0.000 -0.850) 2.080 8.400 ( 0.099 0.000 1.594) 1.598 8.914 ( 2.358 0.000 8.526) 8.846 9.077 ( 12.678 0.000 1.784) 12.803 9.245 ( 12.214 0.000 11.748) 16.947 9.322 ( 8.398 0.000 -7.207) 11.066 9.756 ( -3.535 -0.000 -0.227) 3.542 10.030 ( -5.675 -0.000 2.111) 6.055 10.305 ( -2.302 -0.000 0.695) 2.404 10.318 ( -3.257 -0.000 -1.809) 3.726 10.366 ( -0.074 -0.000 -4.806) 4.807 10.539 ( 4.695 0.000 1.926) 5.075 10.717 ( 13.103 0.000 22.922) 26.403 10.939 ( 5.090 0.000 -4.596) 6.858 11.467 ( -9.294 -0.000 4.333) 10.254 11.657 ( -0.607 -0.000 4.057) 4.102 11.687 ( -0.288 -0.000 -10.481) 10.485 11.715 ( -2.485 -0.000 0.152) 2.490 11.889 ( -6.200 -0.000 12.070) 13.570 12.138 ( 1.078 0.000 -2.270) 2.513 12.430 ( -5.310 -0.000 5.860) 7.908 12.641 ( -1.662 -0.000 -7.266) 7.454 12.845 ( 3.147 0.000 5.527) 6.360 12.936 ( 7.683 0.000 -8.897) 11.755 13.129 ( 0.270 0.000 -0.912) 0.951 13.270 ( -5.018 -0.000 -1.573) 5.259 13.478 ( -7.673 -0.000 -4.318) 8.804 13.900 ( 11.764 0.000 -0.390) 11.771 14.096 ( 2.924 0.000 4.989) 5.783 14.385 ( 14.913 0.000 0.983) 14.945 16.447 ( -16.859 -0.000 -3.445) 17.207 16.964 ( -8.661 -0.000 7.321) 11.341 17.138 ( 2.076 0.000 -7.355) 7.642 17.607 ( 1.099 0.000 -25.304) 25.328 20.748 ( 2.485 0.000 -9.378) 9.701 20.759 ( 2.554 0.000 12.911) 13.161 21.116 ( 0.716 0.000 5.537) 5.584 21.251 ( 1.872 0.000 4.810) 5.162 21.468 ( 11.653 0.000 25.822) 28.330 21.582 ( 3.169 0.000 -3.380) 4.634 22.461 ( -3.808 -0.000 -2.834) 4.746 22.601 ( -1.049 -0.000 -2.721) 2.917 22.756 ( 2.645 0.000 -5.728) 6.309 22.837 ( 1.443 0.000 2.878) 3.220 23.087 ( -4.243 -0.000 0.426) 4.265 23.385 ( 3.406 0.000 1.447) 3.701 23.630 ( -0.302 -0.000 0.489) 0.574 23.642 ( 0.730 0.000 -1.101) 1.322 24.188 ( -9.720 -0.000 11.613) 15.144 24.434 ( -8.572 -0.000 -31.949) 33.079 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -2.335 -25.355 11.846) 28.084 1.020 ( -10.831 -19.481 13.393) 26.004 1.392 ( 2.745 -17.963 5.378) 18.950 1.589 ( -30.731 -0.048 18.375) 35.806 2.001 ( 4.222 -8.266 -6.807) 11.510 2.109 ( 1.806 -6.277 -2.468) 6.982 2.188 ( 2.102 -9.876 -0.827) 10.131 2.458 ( -1.500 0.146 4.464) 4.712 2.603 ( 1.994 -7.990 1.080) 8.306 2.690 ( 0.612 -9.861 0.172) 9.881 2.902 ( 0.590 0.105 1.106) 1.258 3.126 ( 2.864 7.185 -2.757) 8.211 3.151 ( -0.139 1.392 0.475) 1.477 3.244 ( 4.076 -2.423 0.211) 4.747 3.411 ( -3.966 -0.525 -3.353) 5.220 3.510 ( 2.726 -9.387 0.012) 9.775 3.676 ( 5.229 4.235 0.825) 6.779 3.890 ( 3.572 -1.238 -5.498) 6.673 3.893 ( 3.929 -0.784 -0.396) 4.026 3.961 ( 1.173 -0.296 -2.721) 2.978 4.023 ( -3.137 -0.616 -0.461) 3.230 4.256 ( 1.186 4.882 0.900) 5.104 4.345 ( -3.946 4.128 0.057) 5.711 4.799 ( 6.641 3.725 0.419) 7.626 4.831 ( -1.198 -0.318 1.109) 1.664 4.998 ( -6.179 2.384 2.954) 7.252 5.183 ( 5.446 -0.365 1.456) 5.649 5.217 ( -2.185 -3.490 -0.330) 4.131 5.421 ( -2.245 -0.059 -7.740) 8.059 5.441 ( -1.503 -0.391 -2.534) 2.972 5.563 ( -1.436 1.719 1.201) 2.541 5.601 ( -2.323 6.935 1.874) 7.550 5.705 ( -0.684 1.002 -1.678) 2.071 5.756 ( -2.256 8.312 -0.934) 8.663 5.871 ( 7.236 -2.254 4.887) 9.018 6.126 ( -11.514 -3.471 -4.837) 12.962 6.340 ( 2.154 -3.351 -0.454) 4.010 6.486 ( -6.660 2.265 2.659) 7.520 6.529 ( 6.203 -6.314 -2.982) 9.340 6.738 ( 3.493 -1.581 0.181) 3.838 7.522 ( -2.867 1.727 -1.575) 3.699 7.724 ( -1.065 -2.579 -1.501) 3.168 7.775 ( 0.737 0.354 -3.432) 3.528 7.800 ( -0.984 2.934 -1.626) 3.496 7.898 ( -0.507 -0.271 0.092) 0.582 7.983 ( 1.223 -2.381 1.800) 3.226 8.136 ( 0.858 0.739 1.130) 1.600 8.400 ( -1.615 -0.179 0.144) 1.631 8.947 ( 4.017 3.997 10.431) 11.871 9.139 ( 11.689 1.957 -0.170) 11.853 9.364 ( 4.981 -0.842 0.903) 5.132 9.503 ( 1.069 -5.571 6.072) 8.310 9.768 ( -2.165 -1.778 -0.101) 2.804 9.978 ( -0.186 -0.618 -3.886) 3.939 10.266 ( -1.652 0.939 0.013) 1.900 10.295 ( -1.340 -0.701 -1.861) 2.398 10.400 ( 2.517 -4.587 -3.067) 6.065 10.596 ( 3.070 -2.203 0.591) 3.825 10.926 ( 5.682 -0.229 -1.179) 5.808 11.073 ( 6.790 -6.055 10.335) 13.768 11.362 ( -3.606 7.755 6.363) 10.660 11.593 ( -1.193 7.589 4.042) 8.681 11.680 ( 0.769 -3.945 -2.619) 4.797 11.757 ( 1.334 -3.546 -2.398) 4.484 11.796 ( -0.102 4.059 7.676) 8.684 12.124 ( 0.887 2.665 -0.258) 2.820 12.368 ( -7.015 3.048 6.523) 10.053 12.742 ( 6.872 -8.548 -1.100) 11.023 12.811 ( 4.599 5.928 -4.515) 8.756 12.953 ( 4.606 6.602 4.500) 9.222 13.079 ( 0.726 2.106 -2.245) 3.163 13.172 ( -3.073 2.461 0.209) 3.943 13.463 ( -7.295 -6.049 -5.075) 10.751 13.994 ( 6.972 -0.189 -1.531) 7.140 14.189 ( 5.492 -4.679 4.669) 8.593 14.663 ( 13.657 -13.107 0.738) 18.944 16.214 ( -14.492 8.335 -4.852) 17.407 16.844 ( -16.718 8.684 5.395) 19.596 17.148 ( 2.790 -2.810 -7.218) 8.233 17.268 ( -11.819 7.565 -22.541) 26.552 20.699 ( 1.905 4.796 1.137) 5.284 20.773 ( 0.430 2.207 1.001) 2.461 21.161 ( 2.446 0.681 7.255) 7.686 21.277 ( -1.703 0.044 1.831) 2.501 21.369 ( 0.183 7.149 6.441) 9.624 22.064 ( 29.839 -5.605 18.302) 35.451 22.402 ( -4.625 -2.103 -8.820) 10.179 22.627 ( 1.708 -5.267 -2.485) 6.069 22.775 ( 3.775 -1.874 -3.080) 5.220 22.912 ( -2.321 -7.355 -3.442) 8.446 23.111 ( -0.035 -3.714 5.434) 6.582 23.433 ( 2.729 -1.435 1.252) 3.328 23.615 ( -0.365 1.049 -0.788) 1.361 23.649 ( 0.496 -0.515 -0.563) 0.910 24.012 ( -20.174 8.798 -19.747) 29.569 24.128 ( -12.024 4.095 4.018) 13.322 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -2.048 -0.000 15.346) 15.482 0.959 ( 1.816 0.000 33.753) 33.802 1.245 ( -2.245 -0.000 10.017) 10.265 1.444 ( -27.131 -0.000 19.019) 33.133 1.869 ( 1.963 0.000 -4.870) 5.251 2.082 ( 5.034 0.000 -6.148) 7.946 2.092 ( 2.692 0.000 -5.342) 5.982 2.451 ( -9.079 -0.000 7.027) 11.480 2.500 ( 0.425 0.000 -9.199) 9.209 2.641 ( 2.587 0.000 11.713) 11.995 2.934 ( -0.396 -0.000 5.116) 5.131 3.149 ( 0.829 0.000 2.623) 2.751 3.234 ( -4.506 -0.000 -1.783) 4.846 3.308 ( 3.269 0.000 -10.919) 11.398 3.331 ( 4.349 0.000 -6.132) 7.517 3.394 ( 6.968 0.000 0.623) 6.995 3.779 ( -2.096 -0.000 -0.101) 2.098 3.833 ( 3.749 0.000 -2.050) 4.273 3.890 ( 2.107 0.000 -4.462) 4.935 3.960 ( 2.068 0.000 -3.301) 3.896 4.034 ( 0.418 0.000 1.865) 1.911 4.306 ( -1.348 -0.000 1.478) 2.000 4.369 ( -3.209 -0.000 -0.617) 3.268 4.805 ( -2.988 -0.000 1.808) 3.493 4.901 ( 5.319 0.000 -0.467) 5.340 4.958 ( -6.700 -0.000 2.103) 7.022 5.177 ( -2.637 -0.000 1.900) 3.250 5.202 ( 3.932 0.000 -9.245) 10.046 5.359 ( -3.609 -0.000 -5.869) 6.890 5.413 ( 1.084 0.000 -1.238) 1.645 5.589 ( -0.475 -0.000 2.732) 2.773 5.684 ( -3.818 -0.000 -4.712) 6.065 5.695 ( -2.566 -0.000 2.726) 3.743 5.857 ( -2.313 -0.000 2.561) 3.451 5.911 ( -7.383 -0.000 -1.601) 7.554 6.045 ( 21.395 0.000 9.219) 23.297 6.299 ( -1.276 -0.000 9.527) 9.612 6.455 ( -12.637 -0.000 7.831) 14.866 6.490 ( 9.683 0.000 -8.919) 13.165 6.735 ( 3.351 0.000 -6.316) 7.149 7.550 ( -1.039 -0.000 -2.322) 2.544 7.611 ( 0.576 0.000 -1.964) 2.047 7.737 ( -4.902 -0.000 -0.716) 4.954 7.829 ( 0.676 0.000 -5.876) 5.915 7.922 ( 2.041 0.000 -1.280) 2.409 7.967 ( -0.335 -0.000 4.303) 4.316 8.160 ( 1.119 0.000 2.137) 2.412 8.370 ( -2.872 -0.000 -1.502) 3.241 9.117 ( 7.687 0.000 10.448) 12.971 9.266 ( 6.866 0.000 1.202) 6.971 9.411 ( 5.906 0.000 -0.123) 5.907 9.481 ( 3.190 0.000 7.645) 8.284 9.783 ( 7.594 0.000 -0.176) 7.596 9.906 ( -9.377 -0.000 -3.199) 9.908 10.243 ( -5.236 -0.000 0.430) 5.254 10.274 ( -0.245 -0.000 -0.766) 0.804 10.374 ( 3.879 0.000 -1.388) 4.120 10.582 ( 2.518 0.000 -3.204) 4.075 10.936 ( 1.466 0.000 -4.460) 4.695 11.091 ( -3.432 -0.000 4.127) 5.367 11.572 ( 11.678 0.000 7.681) 13.977 11.580 ( -1.029 -0.000 -4.597) 4.711 11.694 ( 0.600 0.000 2.603) 2.672 11.722 ( 2.836 0.000 -2.053) 3.501 11.924 ( -5.306 -0.000 13.396) 14.408 12.168 ( 2.227 0.000 1.561) 2.719 12.384 ( -6.113 -0.000 3.287) 6.941 12.623 ( 10.557 0.000 -4.883) 11.632 12.931 ( 9.717 0.000 -6.946) 11.944 12.948 ( 2.895 0.000 4.243) 5.136 13.167 ( -6.100 -0.000 0.286) 6.107 13.223 ( 5.403 0.000 5.046) 7.393 13.386 ( 2.787 0.000 5.392) 6.070 14.057 ( 8.384 0.000 -3.619) 9.132 14.208 ( 4.213 0.000 7.556) 8.651 14.613 ( 8.895 0.000 1.056) 8.958 16.166 ( -7.469 -0.000 -7.532) 10.607 16.886 ( -9.754 -0.000 7.990) 12.609 16.898 ( -44.294 -0.000 -29.744) 53.354 17.117 ( 2.229 0.000 -7.796) 8.108 20.726 ( 3.938 0.000 -5.194) 6.519 20.825 ( -2.488 -0.000 1.186) 2.757 21.228 ( 2.919 0.000 9.797) 10.222 21.278 ( -0.368 -0.000 3.556) 3.575 21.588 ( 2.298 0.000 -4.465) 5.022 22.243 ( 8.632 0.000 -3.415) 9.283 22.460 ( 31.673 0.000 18.946) 36.907 22.555 ( 0.527 0.000 -3.783) 3.819 22.769 ( 4.587 0.000 -3.577) 5.817 22.797 ( -3.999 -0.000 -2.668) 4.807 23.101 ( -0.601 -0.000 7.824) 7.847 23.446 ( 2.305 0.000 0.886) 2.469 23.619 ( -1.194 -0.000 -0.368) 1.249 23.637 ( -0.020 -0.000 -2.086) 2.086 23.734 ( -30.440 -0.000 -19.566) 36.186 24.093 ( -13.312 -0.000 6.650) 14.881 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -7.571 -0.000 -13.322) 15.323 1.164 ( 7.571 0.000 13.322) 15.323 1.569 ( 18.764 0.000 -21.088) 28.227 1.569 ( -18.764 -0.000 21.088) 28.227 1.916 ( -10.620 -0.000 -3.596) 11.212 1.916 ( 10.620 0.000 3.596) 11.212 2.287 ( 1.221 0.000 -18.158) 18.199 2.287 ( -1.221 -0.000 18.158) 18.199 2.605 ( -8.124 -0.000 -11.995) 14.487 2.605 ( 8.124 0.000 11.995) 14.487 2.992 ( 3.547 0.000 -10.743) 11.314 2.992 ( -3.547 -0.000 10.743) 11.314 3.156 ( -1.483 -0.000 -6.539) 6.705 3.156 ( 1.483 0.000 6.539) 6.705 3.523 ( 2.386 0.000 -6.826) 7.231 3.523 ( -2.386 -0.000 6.826) 7.231 3.666 ( -2.439 -0.000 -1.151) 2.697 3.666 ( 2.439 0.000 1.151) 2.697 3.836 ( -6.929 -0.000 1.331) 7.055 3.836 ( 6.929 0.000 -1.331) 7.055 4.232 ( -4.490 -0.000 -2.245) 5.020 4.232 ( 4.490 0.000 2.245) 5.020 4.572 ( -7.814 -0.000 -10.989) 13.484 4.572 ( 7.814 0.000 10.989) 13.484 4.930 ( 2.582 0.000 -1.603) 3.039 4.930 ( -2.582 -0.000 1.603) 3.039 5.145 ( 10.958 0.000 -5.466) 12.245 5.145 ( -10.958 -0.000 5.466) 12.245 5.376 ( -3.511 -0.000 -1.786) 3.939 5.376 ( 3.511 0.000 1.786) 3.939 5.530 ( 1.657 0.000 -0.783) 1.833 5.530 ( -1.657 -0.000 0.783) 1.833 5.800 ( 0.175 0.000 -3.295) 3.299 5.800 ( -0.175 -0.000 3.295) 3.299 6.075 ( 2.448 0.000 -12.761) 12.994 6.075 ( -2.448 -0.000 12.761) 12.994 6.470 ( 10.251 0.000 -9.422) 13.923 6.470 ( -10.251 -0.000 9.422) 13.923 6.578 ( 6.269 0.000 -8.078) 10.225 6.578 ( -6.269 -0.000 8.078) 10.225 7.533 ( 1.376 0.000 -3.003) 3.303 7.533 ( -1.376 -0.000 3.003) 3.303 7.718 ( 3.768 0.000 -4.057) 5.537 7.718 ( -3.768 -0.000 4.057) 5.537 7.975 ( -3.161 -0.000 -0.832) 3.268 7.975 ( 3.161 0.000 0.832) 3.268 8.263 ( -3.254 -0.000 -1.843) 3.740 8.263 ( 3.254 0.000 1.843) 3.740 9.342 ( -1.606 -0.000 0.094) 1.609 9.342 ( 1.606 0.000 -0.094) 1.609 9.587 ( -9.499 -0.000 -3.204) 10.025 9.587 ( 9.499 0.000 3.204) 10.025 9.804 ( 4.588 0.000 -10.820) 11.752 9.804 ( -4.588 -0.000 10.820) 11.752 10.223 ( 1.105 0.000 -4.175) 4.319 10.223 ( -1.105 -0.000 4.175) 4.319 10.465 ( -2.744 -0.000 -2.492) 3.707 10.465 ( 2.744 0.000 2.492) 3.707 10.945 ( -5.251 -0.000 -1.998) 5.618 10.945 ( 5.251 0.000 1.998) 5.618 11.556 ( -9.466 -0.000 1.271) 9.551 11.556 ( 9.466 0.000 -1.271) 9.551 11.697 ( 3.727 0.000 -3.024) 4.800 11.697 ( -3.727 -0.000 3.024) 4.800 12.258 ( 2.643 0.000 -4.086) 4.866 12.258 ( -2.643 -0.000 4.086) 4.866 12.333 ( 9.067 0.000 -11.414) 14.577 12.333 ( -9.067 -0.000 11.414) 14.577 13.049 ( 8.423 0.000 -3.787) 9.235 13.049 ( -8.423 -0.000 3.787) 9.235 13.164 ( -0.162 -0.000 -3.783) 3.787 13.164 ( 0.162 0.000 3.783) 3.787 13.938 ( -5.167 -0.000 -7.473) 9.085 13.938 ( 5.167 0.000 7.473) 9.085 14.597 ( -13.003 -0.000 -2.530) 13.247 14.597 ( 13.003 0.000 2.530) 13.247 16.005 ( -21.930 -0.000 5.950) 22.723 16.005 ( 21.930 0.000 -5.950) 22.723 16.977 ( 7.506 0.000 -8.096) 11.040 16.977 ( -7.506 -0.000 8.096) 11.040 20.741 ( -5.603 -0.000 0.220) 5.607 20.741 ( 5.603 0.000 -0.220) 5.607 21.434 ( -0.849 -0.000 -5.347) 5.414 21.434 ( 0.849 0.000 5.347) 5.414 21.708 ( -8.681 -0.000 -14.350) 16.772 21.708 ( 8.681 0.000 14.350) 16.772 22.558 ( -9.377 -0.000 -0.283) 9.381 22.558 ( 9.377 0.000 0.283) 9.381 22.764 ( 6.242 0.000 -3.345) 7.082 22.764 ( -6.242 -0.000 3.345) 7.082 23.443 ( 0.282 0.000 -4.263) 4.273 23.443 ( -0.282 -0.000 4.263) 4.273 23.584 ( 1.881 0.000 -1.140) 2.200 23.584 ( -1.881 -0.000 1.140) 2.200 23.853 ( -24.764 -0.000 -2.075) 24.851 23.853 ( 24.764 0.000 2.075) 24.851 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -3.885 -14.980 -12.355) 19.803 1.355 ( 4.291 -8.024 6.187) 11.004 1.654 ( -4.552 -9.004 11.203) 15.076 1.747 ( 16.144 -10.219 -8.006) 20.716 1.903 ( -10.557 -10.346 -6.283) 16.061 2.079 ( 2.905 -7.889 -6.957) 10.912 2.239 ( -0.290 -8.469 -15.236) 17.434 2.404 ( -5.370 -8.753 10.056) 14.372 2.616 ( 0.804 -7.057 -3.582) 7.955 2.846 ( 11.749 -5.428 13.109) 18.422 2.970 ( -0.173 -1.159 -10.523) 10.588 3.036 ( -3.645 -2.133 9.732) 10.609 3.059 ( -2.491 3.937 -6.582) 8.064 3.185 ( 3.362 1.193 7.778) 8.557 3.474 ( -6.320 -0.647 -4.487) 7.778 3.483 ( -4.570 -0.302 -3.021) 5.487 3.623 ( 1.706 4.639 4.083) 6.411 3.664 ( 5.328 3.420 4.227) 7.612 3.853 ( -4.139 -3.552 -0.168) 5.457 3.958 ( 3.876 -5.495 3.184) 7.440 4.161 ( -0.336 2.788 -2.875) 4.019 4.203 ( 3.178 7.056 -0.476) 7.753 4.488 ( -7.902 -3.996 -7.411) 11.547 4.683 ( 3.176 -0.385 7.747) 8.381 4.849 ( -2.996 4.880 2.638) 6.305 4.936 ( 6.496 2.346 -0.127) 6.908 5.167 ( -6.658 -6.579 1.549) 9.487 5.236 ( 0.314 -3.325 0.412) 3.365 5.366 ( -0.154 -3.495 -6.810) 7.656 5.424 ( 1.859 -1.175 0.420) 2.239 5.529 ( -1.147 1.356 3.872) 4.260 5.551 ( 2.968 0.253 1.485) 3.328 5.671 ( 0.508 9.140 -1.833) 9.336 5.716 ( 4.995 7.759 -0.257) 9.232 6.031 ( 0.170 3.591 -5.598) 6.653 6.059 ( -4.202 7.991 3.716) 9.763 6.303 ( -6.351 0.627 5.290) 8.289 6.382 ( 6.401 5.251 -0.832) 8.321 6.671 ( -5.184 -7.292 -1.612) 9.091 6.759 ( 5.141 -5.844 -2.245) 8.101 7.519 ( -1.264 -0.259 -2.300) 2.637 7.579 ( 1.380 -2.446 4.412) 5.230 7.711 ( -1.116 1.402 1.829) 2.561 7.727 ( 2.579 1.397 -1.086) 3.128 7.959 ( -2.945 -1.850 -1.619) 3.836 8.016 ( 2.040 -1.053 0.192) 2.304 8.226 ( -3.316 -0.057 -1.786) 3.767 8.308 ( 3.876 -0.809 2.091) 4.478 9.248 ( -11.229 4.306 1.361) 12.103 9.310 ( -2.259 1.548 -2.970) 4.039 9.441 ( -4.117 4.382 -0.676) 6.050 9.612 ( 11.510 6.144 2.535) 13.291 9.818 ( -2.355 -4.280 -9.236) 10.449 9.896 ( -2.374 -5.760 4.639) 7.767 10.220 ( 1.320 0.052 -2.920) 3.205 10.285 ( 3.695 -3.047 1.834) 5.128 10.441 ( -4.337 -2.027 -2.036) 5.202 10.529 ( 3.932 -2.626 2.569) 5.381 10.884 ( -4.545 1.419 -0.662) 4.807 10.998 ( 6.542 0.797 3.170) 7.313 11.436 ( -10.043 3.934 4.878) 11.838 11.578 ( 8.283 5.421 -0.770) 9.929 11.688 ( -3.578 -0.821 3.235) 4.893 11.715 ( 3.215 -1.139 -2.749) 4.381 12.143 ( -5.336 5.480 -4.615) 8.933 12.232 ( -1.807 1.720 0.739) 2.602 12.371 ( 8.580 0.768 -8.507) 12.106 12.440 ( 0.568 -3.944 11.412) 12.088 12.999 ( -9.107 -2.129 1.926) 9.548 13.080 ( 3.826 0.115 -3.213) 4.998 13.133 ( -3.187 0.785 -1.802) 3.744 13.231 ( 4.911 -2.224 3.265) 6.303 13.661 ( -18.114 11.068 -11.798) 24.286 13.931 ( 3.135 4.585 5.584) 7.876 14.504 ( -14.204 -3.937 -4.998) 15.564 14.757 ( 5.289 -7.061 1.669) 8.979 15.920 ( -5.568 1.576 5.989) 8.328 16.221 ( 28.773 0.929 1.648) 28.835 16.992 ( -5.616 -2.940 7.618) 9.910 17.031 ( 7.725 -2.751 -6.717) 10.600 20.704 ( -5.401 -0.421 1.242) 5.558 20.785 ( 5.267 0.624 -1.084) 5.413 21.315 ( -0.118 6.435 -4.175) 7.671 21.364 ( 0.147 8.546 3.590) 9.270 21.580 ( -7.681 -0.475 -11.330) 13.696 21.866 ( 9.781 1.062 13.946) 17.067 22.543 ( -4.708 -4.289 -1.684) 6.588 22.622 ( -3.500 -0.530 5.822) 6.814 22.817 ( -0.775 -7.206 0.187) 7.250 22.883 ( 1.565 -8.667 2.415) 9.132 23.398 ( -5.591 0.433 -7.048) 9.007 23.465 ( -0.566 -1.004 2.728) 2.961 23.571 ( -2.877 -0.259 -1.314) 3.173 23.596 ( 0.021 0.027 -0.806) 0.806 23.648 ( -8.493 0.536 -2.086) 8.762 24.002 ( 21.853 5.572 -1.340) 22.592 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.402 -16.364 3.101) 16.660 1.594 ( 8.188 -11.833 -3.738) 14.868 1.875 ( 3.796 -9.948 2.409) 10.917 1.974 ( -1.120 -9.296 -6.947) 11.659 2.046 ( -1.183 -11.487 -0.231) 11.550 2.156 ( -5.362 -12.971 -22.472) 26.495 2.419 ( 4.046 -8.634 -0.645) 9.557 2.598 ( -1.466 -7.131 4.706) 8.668 2.767 ( 2.141 -6.250 0.996) 6.681 2.898 ( -2.956 -0.488 -5.378) 6.156 2.927 ( -6.995 2.104 3.069) 7.923 3.007 ( -2.314 -5.176 -6.588) 8.691 3.116 ( -0.758 -2.904 5.188) 5.993 3.322 ( 7.370 -3.112 6.563) 10.348 3.391 ( -6.182 2.521 -2.673) 7.192 3.525 ( 4.369 -5.020 4.005) 7.767 3.607 ( -1.516 0.946 10.340) 10.494 3.644 ( 3.573 2.998 0.316) 4.674 3.858 ( -0.817 0.266 0.478) 0.983 4.088 ( 2.223 2.807 4.127) 5.464 4.119 ( 2.723 -6.433 -5.507) 8.895 4.137 ( 2.750 -0.762 -3.585) 4.582 4.470 ( -8.519 -3.910 -6.508) 11.411 4.641 ( -3.870 4.450 4.770) 7.585 4.857 ( 9.040 2.371 1.646) 9.489 4.930 ( 1.229 1.962 2.181) 3.180 5.195 ( -5.119 0.953 0.101) 5.208 5.292 ( -2.269 -6.354 0.596) 6.773 5.370 ( -5.551 0.219 -2.157) 5.960 5.403 ( 0.537 4.028 1.429) 4.307 5.465 ( 0.898 5.057 -2.319) 5.635 5.537 ( 1.951 4.188 -3.231) 5.637 5.603 ( 2.880 -3.219 3.250) 5.405 5.695 ( 2.678 1.138 -0.831) 3.026 5.908 ( -0.306 3.659 0.885) 3.777 5.971 ( 5.535 1.841 3.167) 6.637 6.294 ( -6.957 1.133 7.556) 10.333 6.371 ( 3.449 0.950 -2.676) 4.468 6.716 ( -0.845 -1.704 -2.738) 3.334 6.826 ( 2.451 0.062 -0.775) 2.571 7.504 ( -1.337 0.349 -0.648) 1.527 7.626 ( 1.213 5.455 -2.237) 6.019 7.662 ( 0.543 -1.093 4.212) 4.385 7.692 ( 1.571 4.480 2.001) 5.152 7.971 ( -2.429 -1.725 -0.022) 2.979 8.031 ( -0.428 -0.146 -0.689) 0.824 8.197 ( -2.234 -0.505 -1.799) 2.912 8.363 ( 3.231 0.055 1.486) 3.557 9.091 ( -13.973 0.251 2.552) 14.206 9.206 ( -6.665 3.538 -4.421) 8.746 9.422 ( 4.054 -2.570 -1.420) 5.006 9.599 ( 11.916 6.943 0.759) 13.812 9.793 ( -3.828 -0.364 -6.783) 7.797 10.015 ( -1.375 -7.681 1.394) 7.926 10.213 ( 0.966 -0.135 -1.977) 2.204 10.362 ( 1.360 -2.150 -2.084) 3.289 10.470 ( -2.748 -4.805 1.889) 5.849 10.632 ( 6.466 -0.820 4.111) 7.706 10.808 ( -6.280 1.403 -0.882) 6.495 11.065 ( 6.023 -0.096 4.084) 7.278 11.356 ( -4.984 -0.067 3.765) 6.247 11.477 ( 3.189 8.142 -3.991) 9.612 11.689 ( -1.514 0.064 0.363) 1.559 11.785 ( 5.060 -2.635 0.564) 5.733 11.975 ( -7.253 4.127 -0.959) 8.400 12.194 ( -3.470 -0.566 -0.574) 3.562 12.348 ( 8.302 4.608 -7.607) 12.167 12.497 ( -1.898 2.463 9.404) 9.905 12.945 ( -1.491 6.831 -5.432) 8.854 13.055 ( -10.821 -2.017 0.853) 11.041 13.092 ( -0.331 5.895 -2.177) 6.293 13.171 ( -5.937 2.670 -3.734) 7.504 13.478 ( -1.467 -7.952 -0.495) 8.101 13.929 ( 2.990 1.120 3.309) 4.598 14.445 ( -11.071 -3.551 -3.143) 12.044 14.928 ( 1.348 -6.892 1.981) 7.296 15.879 ( 1.858 4.084 3.193) 5.507 16.391 ( 20.217 5.052 3.902) 21.201 17.056 ( -3.561 -3.674 6.488) 8.263 17.118 ( 6.330 -2.825 -4.266) 8.139 20.661 ( -5.206 1.659 1.294) 5.616 20.776 ( 3.853 2.483 -3.803) 5.956 21.212 ( -0.233 5.042 0.545) 5.076 21.256 ( 1.590 1.668 -0.952) 2.493 21.487 ( -3.680 0.005 -6.145) 7.162 21.932 ( 8.622 7.605 10.203) 15.371 22.528 ( -8.713 -1.658 -4.070) 9.759 22.663 ( -5.674 -5.531 5.873) 9.863 22.971 ( -5.990 -7.319 0.152) 9.459 22.993 ( -4.128 -6.620 -1.358) 7.919 23.326 ( -2.399 -2.775 -4.812) 6.051 23.489 ( -0.939 -1.218 0.604) 1.652 23.563 ( 1.912 1.211 0.670) 2.361 23.614 ( 4.177 -2.452 -0.167) 4.847 23.655 ( 0.026 -1.467 1.442) 2.058 24.010 ( 15.687 9.231 -1.855) 18.296 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( 3.163 -6.006 1.746) 7.008 1.899 ( 4.475 -12.730 -0.400) 13.499 2.049 ( 7.486 -4.894 -8.681) 12.464 2.078 ( -4.197 -6.075 8.728) 11.432 2.208 ( 3.077 -6.167 -13.027) 14.738 2.254 ( -8.208 -12.285 -5.360) 15.717 2.508 ( -3.252 0.051 -2.244) 3.952 2.644 ( 4.963 -2.134 -3.704) 6.551 2.784 ( -2.380 3.061 4.366) 5.839 2.881 ( 0.010 2.364 2.587) 3.504 2.925 ( -2.407 -1.382 -2.470) 3.715 3.090 ( -5.295 -10.368 -4.407) 12.448 3.204 ( -5.412 2.529 3.842) 7.102 3.250 ( -2.167 -2.471 -2.048) 3.872 3.345 ( 0.107 5.137 8.543) 9.969 3.607 ( -2.750 0.328 6.496) 7.062 3.651 ( 3.278 -1.008 -4.746) 5.855 3.791 ( 8.967 -9.143 4.867) 13.700 3.898 ( 1.538 -2.721 3.492) 4.686 4.070 ( 4.970 3.494 3.760) 7.145 4.191 ( -0.607 -3.136 -6.084) 6.872 4.269 ( 7.188 -6.140 -2.791) 9.857 4.415 ( -8.194 -5.082 -8.132) 12.614 4.605 ( -3.562 0.537 5.163) 6.295 4.784 ( 0.900 7.731 0.805) 7.824 4.935 ( -0.163 -0.435 -3.594) 3.624 5.143 ( 2.236 2.044 3.218) 4.420 5.280 ( -7.279 2.501 2.092) 7.976 5.349 ( 3.458 2.853 -0.038) 4.483 5.364 ( 0.912 1.137 -2.671) 3.043 5.435 ( -1.978 -3.102 1.218) 3.875 5.491 ( 0.947 0.330 0.318) 1.052 5.662 ( 2.621 1.766 -4.224) 5.275 5.715 ( -0.331 -3.023 5.158) 5.988 5.857 ( -0.720 2.206 -0.400) 2.355 6.088 ( 3.564 -5.197 3.730) 7.323 6.249 ( -3.812 0.929 4.837) 6.229 6.339 ( 1.355 3.368 -1.900) 4.097 6.702 ( 1.962 1.604 -2.982) 3.913 6.833 ( 1.730 0.612 1.581) 2.422 7.441 ( -1.601 4.464 0.974) 4.842 7.560 ( 1.901 1.189 -2.721) 3.526 7.614 ( 0.028 4.924 2.213) 5.399 7.697 ( 1.109 -1.610 -1.090) 2.239 7.906 ( -5.103 5.588 2.541) 7.983 8.082 ( -0.003 -5.070 -0.730) 5.123 8.180 ( 0.750 0.850 -0.306) 1.174 8.363 ( 0.976 2.080 0.066) 2.299 9.051 ( -7.654 -1.002 6.998) 10.419 9.069 ( -5.064 -0.020 -7.758) 9.264 9.506 ( 0.931 -3.136 -2.255) 3.973 9.580 ( 9.619 3.983 -1.811) 10.567 9.721 ( -2.233 2.299 -1.043) 3.370 10.148 ( 1.399 -5.064 -2.532) 5.832 10.247 ( -0.528 -4.552 1.192) 4.735 10.386 ( 0.093 -1.365 -1.845) 2.297 10.555 ( 1.162 -2.919 2.062) 3.758 10.674 ( 4.125 4.684 6.837) 9.257 10.743 ( -6.624 -2.448 -3.887) 8.061 11.132 ( 3.006 -0.170 5.268) 6.068 11.301 ( 0.634 5.453 -6.930) 8.841 11.410 ( -1.415 -2.948 1.673) 3.673 11.643 ( -0.920 3.577 -1.532) 3.998 11.824 ( 1.961 2.299 0.570) 3.075 11.956 ( -2.609 -5.870 5.063) 8.179 12.194 ( -4.806 -3.554 -5.273) 7.970 12.273 ( 8.002 7.352 0.998) 10.912 12.478 ( 0.870 1.631 2.823) 3.374 12.664 ( -8.354 9.326 -8.757) 15.279 12.906 ( -3.646 4.367 -1.535) 5.892 13.085 ( -1.420 -0.860 2.334) 2.864 13.171 ( -2.571 -2.593 -0.884) 3.757 13.610 ( 1.584 -3.870 1.371) 4.401 13.959 ( 1.780 -0.467 1.436) 2.334 14.417 ( -6.346 -2.459 -0.955) 6.873 15.047 ( 0.004 -4.288 1.303) 4.482 15.836 ( 2.582 3.563 1.286) 4.585 16.434 ( 9.506 4.619 2.146) 10.784 17.122 ( -2.379 -2.518 4.940) 6.034 17.180 ( 3.970 -1.085 -3.165) 5.192 20.577 ( -2.712 2.803 -0.910) 4.005 20.749 ( 1.708 1.234 -1.877) 2.822 21.143 ( -0.773 1.612 -0.618) 1.891 21.285 ( 1.668 -1.586 1.209) 2.600 21.454 ( -0.274 -0.464 -2.876) 2.926 21.856 ( 2.687 8.281 4.395) 9.752 22.473 ( -7.093 -2.022 -2.425) 7.764 22.758 ( -1.565 -4.485 5.022) 6.913 22.920 ( -6.992 -0.921 -5.569) 8.986 23.165 ( 2.153 -7.248 1.263) 7.666 23.360 ( -2.549 -3.437 -1.606) 4.571 23.508 ( -0.018 -1.247 -0.266) 1.275 23.552 ( 0.195 1.223 1.036) 1.615 23.684 ( -1.568 -2.406 0.294) 2.887 23.708 ( 5.672 -0.332 2.124) 6.065 23.932 ( 8.946 8.495 -1.190) 12.394 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( -0.000 0.000 0.000) 0.000 2.011 ( -0.000 0.000 0.000) 0.000 2.127 ( -0.000 0.000 0.000) 0.000 2.192 ( -0.000 0.000 -0.000) 0.000 2.233 ( -0.000 0.000 0.000) 0.000 2.289 ( -0.000 -0.000 0.000) 0.000 2.491 ( -0.000 0.000 -0.000) 0.000 2.678 ( -0.000 0.000 0.000) 0.000 2.814 ( -0.000 -0.000 0.000) 0.000 2.833 ( -0.000 0.000 0.000) 0.000 2.871 ( -0.000 0.000 -0.000) 0.000 3.088 ( -0.000 0.000 -0.000) 0.000 3.173 ( -0.000 -0.000 -0.000) 0.000 3.307 ( -0.000 -0.000 -0.000) 0.000 3.328 ( 0.000 0.000 0.000) 0.000 3.623 ( -0.000 0.000 0.000) 0.000 3.651 ( -0.000 0.000 -0.000) 0.000 3.945 ( -0.000 -0.000 -0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.109 ( -0.000 0.000 0.000) 0.000 4.112 ( 0.000 0.000 0.000) 0.000 4.412 ( -0.000 0.000 -0.000) 0.000 4.456 ( 0.000 0.000 -0.000) 0.000 4.542 ( -0.000 0.000 0.000) 0.000 4.705 ( -0.000 0.000 0.000) 0.000 4.932 ( -0.000 0.000 -0.000) 0.000 5.170 ( -0.000 0.000 0.000) 0.000 5.201 ( 0.000 -0.000 0.000) 0.000 5.337 ( -0.000 0.000 -0.000) 0.000 5.343 ( 0.000 0.000 0.000) 0.000 5.453 ( -0.000 0.000 -0.000) 0.000 5.507 ( -0.000 0.000 -0.000) 0.000 5.639 ( -0.000 0.000 0.000) 0.000 5.756 ( -0.000 0.000 0.000) 0.000 5.835 ( -0.000 0.000 0.000) 0.000 6.178 ( -0.000 0.000 0.000) 0.000 6.250 ( -0.000 0.000 0.000) 0.000 6.286 ( -0.000 0.000 0.000) 0.000 6.682 ( -0.000 0.000 0.000) 0.000 6.844 ( -0.000 0.000 -0.000) 0.000 7.387 ( -0.000 0.000 0.000) 0.000 7.549 ( 0.000 0.000 -0.000) 0.000 7.571 ( -0.000 0.000 0.000) 0.000 7.766 ( 0.000 -0.000 -0.000) 0.000 7.774 ( -0.000 0.000 0.000) 0.000 8.124 ( -0.000 0.000 0.000) 0.000 8.194 ( -0.000 0.000 0.000) 0.000 8.333 ( -0.000 0.000 0.000) 0.000 9.005 ( -0.000 0.000 0.000) 0.000 9.078 ( -0.000 -0.000 -0.000) 0.000 9.523 ( -0.000 0.000 0.000) 0.000 9.589 ( -0.000 0.000 0.000) 0.000 9.681 ( 0.000 0.000 0.000) 0.000 10.188 ( -0.000 0.000 0.000) 0.000 10.326 ( -0.000 0.000 0.000) 0.000 10.384 ( -0.000 -0.000 0.000) 0.000 10.603 ( -0.000 0.000 -0.000) 0.000 10.651 ( -0.000 0.000 0.000) 0.000 10.726 ( 0.000 0.000 0.000) 0.000 11.183 ( -0.000 -0.000 0.000) 0.000 11.201 ( -0.000 0.000 -0.000) 0.000 11.455 ( -0.000 0.000 -0.000) 0.000 11.580 ( -0.000 0.000 0.000) 0.000 11.814 ( -0.000 0.000 0.000) 0.000 12.065 ( -0.000 -0.000 0.000) 0.000 12.130 ( -0.000 0.000 -0.000) 0.000 12.285 ( -0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 -0.000) 0.000 12.486 ( -0.000 0.000 0.000) 0.000 12.840 ( -0.000 0.000 -0.000) 0.000 13.093 ( -0.000 0.000 0.000) 0.000 13.183 ( -0.000 0.000 0.000) 0.000 13.653 ( -0.000 0.000 -0.000) 0.000 13.977 ( -0.000 0.000 0.000) 0.000 14.412 ( -0.000 0.000 0.000) 0.000 15.092 ( -0.000 0.000 0.000) 0.000 15.816 ( -0.000 0.000 0.000) 0.000 16.433 ( -0.000 0.000 0.000) 0.000 17.150 ( -0.000 0.000 0.000) 0.000 17.196 ( 0.000 0.000 -0.000) 0.000 20.534 ( -0.000 0.000 0.000) 0.000 20.739 ( -0.000 0.000 0.000) 0.000 21.125 ( -0.000 0.000 -0.000) 0.000 21.317 ( -0.000 0.000 0.000) 0.000 21.453 ( -0.000 0.000 0.000) 0.000 21.788 ( -0.000 0.000 0.000) 0.000 22.457 ( -0.000 0.000 0.000) 0.000 22.845 ( -0.000 0.000 -0.000) 0.000 22.848 ( 0.000 -0.000 0.000) 0.000 23.254 ( -0.000 0.000 -0.000) 0.000 23.378 ( -0.000 -0.000 0.000) 0.000 23.525 ( -0.000 -0.000 -0.000) 0.000 23.539 ( -0.000 0.000 0.000) 0.000 23.708 ( -0.000 0.000 0.000) 0.000 23.732 ( -0.000 0.000 0.000) 0.000 23.879 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.860 ( -6.365 -0.000 -17.593) 18.709 1.307 ( 1.716 0.000 -2.317) 2.884 1.601 ( -3.762 -0.000 19.475) 19.835 1.605 ( -6.793 -0.000 -26.071) 26.941 1.794 ( 17.894 0.000 -5.183) 18.629 2.037 ( 3.259 0.000 -13.450) 13.839 2.093 ( 7.371 0.000 -2.510) 7.786 2.300 ( -7.612 -0.000 11.137) 13.489 2.570 ( 5.853 0.000 -3.305) 6.722 2.877 ( -1.245 -0.000 -12.489) 12.551 3.007 ( 7.917 0.000 18.299) 19.938 3.029 ( -7.488 -0.000 2.730) 7.970 3.055 ( -0.220 -0.000 3.226) 3.233 3.235 ( 3.041 0.000 1.016) 3.206 3.388 ( -2.850 -0.000 -9.986) 10.385 3.407 ( -6.083 -0.000 -0.536) 6.106 3.720 ( 0.518 0.000 4.387) 4.417 3.754 ( 1.014 0.000 3.591) 3.731 3.792 ( -2.172 -0.000 6.120) 6.494 3.927 ( 1.626 0.000 0.390) 1.672 4.148 ( -4.429 -0.000 -7.986) 9.132 4.344 ( 3.820 0.000 2.106) 4.362 4.350 ( -2.460 -0.000 -3.141) 3.989 4.746 ( 1.669 0.000 7.672) 7.851 4.906 ( -0.287 -0.000 -1.191) 1.225 4.972 ( 3.629 0.000 1.925) 4.108 5.048 ( -5.641 -0.000 4.896) 7.469 5.201 ( -3.944 -0.000 -0.774) 4.019 5.339 ( 6.059 0.000 -3.749) 7.125 5.420 ( 1.138 0.000 -1.607) 1.969 5.570 ( 0.482 0.000 6.745) 6.762 5.591 ( 2.026 0.000 2.200) 2.990 5.782 ( 4.132 0.000 -5.827) 7.143 5.869 ( 6.466 0.000 2.427) 6.907 5.970 ( 0.202 0.000 -9.072) 9.074 6.076 ( -11.534 -0.000 5.551) 12.801 6.338 ( -11.779 -0.000 6.660) 13.531 6.459 ( 1.727 0.000 -7.396) 7.595 6.599 ( -2.890 -0.000 7.506) 8.043 6.651 ( 13.037 0.000 -12.262) 17.898 7.532 ( 1.080 0.000 -0.770) 1.326 7.551 ( -0.846 -0.000 4.134) 4.219 7.724 ( -0.598 -0.000 4.761) 4.798 7.757 ( 5.152 0.000 -2.803) 5.865 7.915 ( -2.660 -0.000 -0.626) 2.733 8.017 ( 1.173 0.000 -0.970) 1.522 8.195 ( -2.817 -0.000 -1.462) 3.174 8.343 ( 3.623 0.000 1.762) 4.029 9.235 ( -8.528 -0.000 -2.554) 8.902 9.242 ( -14.735 -0.000 3.254) 15.090 9.441 ( -4.120 -0.000 -2.882) 5.028 9.678 ( 1.419 0.000 -10.492) 10.588 9.791 ( -3.170 -0.000 1.190) 3.386 9.827 ( 7.177 0.000 3.436) 7.957 10.260 ( 6.313 0.000 -2.160) 6.672 10.271 ( 2.773 0.000 -0.123) 2.775 10.375 ( -5.164 -0.000 -1.560) 5.395 10.528 ( 1.566 0.000 2.225) 2.721 10.872 ( -3.479 -0.000 1.694) 3.869 11.087 ( 7.797 0.000 2.792) 8.282 11.448 ( -7.653 -0.000 8.017) 11.084 11.638 ( -3.492 -0.000 1.404) 3.764 11.664 ( -3.891 -0.000 3.526) 5.251 11.711 ( 0.782 0.000 -1.945) 2.096 12.211 ( -1.181 -0.000 -2.171) 2.472 12.211 ( 5.174 0.000 -13.220) 14.197 12.412 ( -1.270 -0.000 13.697) 13.755 12.453 ( 11.454 0.000 -4.962) 12.482 12.860 ( -16.397 -0.000 2.466) 16.581 13.045 ( -0.679 -0.000 -6.038) 6.076 13.178 ( 3.510 0.000 -0.967) 3.640 13.228 ( 3.211 0.000 2.074) 3.823 13.603 ( -16.331 -0.000 -13.247) 21.028 13.972 ( -6.509 -0.000 5.116) 8.279 14.337 ( -8.289 -0.000 -5.899) 10.174 14.619 ( -11.058 -0.000 0.511) 11.069 16.029 ( 12.921 0.000 6.435) 14.435 16.543 ( 32.916 0.000 10.334) 34.500 16.962 ( -4.592 -0.000 8.561) 9.715 17.035 ( 8.757 0.000 -7.473) 11.513 20.662 ( -4.868 -0.000 1.710) 5.160 20.834 ( 5.223 0.000 -0.230) 5.228 21.362 ( -0.879 -0.000 -4.964) 5.041 21.437 ( -6.110 -0.000 -11.952) 13.423 21.492 ( -1.441 -0.000 5.318) 5.510 22.007 ( 7.049 0.000 15.197) 16.752 22.460 ( -5.392 -0.000 6.249) 8.253 22.662 ( -9.697 -0.000 -1.833) 9.869 22.698 ( -5.596 -0.000 3.585) 6.646 22.778 ( -0.171 -0.000 -1.188) 1.200 23.288 ( -6.990 -0.000 -10.376) 12.511 23.454 ( -1.223 -0.000 0.592) 1.359 23.576 ( 7.842 0.000 0.473) 7.857 23.607 ( 1.126 0.000 0.589) 1.270 23.608 ( -1.489 -0.000 1.977) 2.475 24.216 ( 20.041 0.000 -6.300) 21.008 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.017 ( -1.340 -25.172 -8.543) 26.616 1.426 ( 3.375 -10.616 -11.838) 16.255 1.543 ( -7.526 -16.768 -17.820) 25.600 1.759 ( -0.077 -6.984 13.073) 14.822 1.983 ( 20.286 -2.738 -17.921) 27.206 1.995 ( 3.664 -0.829 6.773) 7.745 2.222 ( 0.011 -10.122 -5.054) 11.313 2.437 ( -0.027 -10.582 9.080) 13.944 2.649 ( 3.117 -4.666 -5.253) 7.687 2.801 ( -5.555 -3.069 -8.988) 11.002 2.942 ( -4.597 1.999 -2.714) 5.700 2.988 ( -7.500 6.130 8.415) 12.831 3.133 ( -0.508 -0.418 8.932) 8.956 3.291 ( -0.292 -1.160 -3.186) 3.403 3.382 ( 7.398 -3.264 -1.939) 8.315 3.453 ( 1.637 -7.060 1.990) 7.515 3.701 ( 1.213 2.943 6.119) 6.897 3.752 ( -0.802 4.986 2.653) 5.705 3.808 ( -3.077 -2.536 2.680) 4.804 3.982 ( -4.083 -5.208 0.472) 6.635 4.045 ( -3.044 0.292 -5.542) 6.330 4.300 ( 5.332 4.838 -1.295) 7.316 4.358 ( -1.732 0.330 -1.502) 2.317 4.730 ( -3.690 5.490 5.563) 8.644 4.895 ( 2.677 -1.064 -2.379) 3.736 5.039 ( 6.908 2.010 -1.135) 7.284 5.117 ( -2.315 -8.025 5.881) 10.215 5.174 ( -3.919 -0.487 2.932) 4.919 5.337 ( -1.888 1.560 0.687) 2.543 5.447 ( 1.956 -1.680 -2.167) 3.368 5.561 ( 0.430 5.311 2.953) 6.092 5.600 ( -0.596 0.272 2.676) 2.755 5.688 ( 4.447 7.302 -3.708) 9.319 5.788 ( 3.514 8.142 -2.723) 9.277 5.961 ( -5.852 2.619 -3.066) 7.107 6.048 ( 5.780 -1.454 3.098) 6.717 6.264 ( -5.677 -1.102 5.569) 8.029 6.472 ( 2.332 7.549 2.416) 8.262 6.577 ( -1.984 -9.387 -3.932) 10.369 6.794 ( 4.446 -4.477 -6.059) 8.747 7.508 ( 1.825 0.714 -0.103) 1.963 7.657 ( 1.325 -4.958 5.263) 7.351 7.733 ( 1.583 3.082 2.500) 4.273 7.758 ( 1.025 3.006 -0.137) 3.179 7.910 ( -0.508 -1.981 -1.108) 2.326 8.019 ( -1.092 -0.547 -1.338) 1.811 8.161 ( -2.314 0.175 -1.262) 2.641 8.387 ( 2.828 -0.714 1.397) 3.234 9.034 ( -15.318 4.786 3.589) 16.445 9.165 ( -7.974 0.961 -4.804) 9.359 9.387 ( -3.270 -1.128 -2.707) 4.392 9.688 ( 0.448 -3.634 -11.033) 11.624 9.787 ( 3.803 -1.264 -0.991) 4.128 9.893 ( 0.748 0.004 4.836) 4.893 10.255 ( 3.872 2.933 -1.176) 4.998 10.317 ( 0.038 -1.164 -2.387) 2.656 10.363 ( -1.251 -4.316 0.581) 4.531 10.600 ( -0.136 -4.828 0.586) 4.865 10.837 ( -3.202 2.106 4.406) 5.840 11.146 ( 5.144 0.735 1.663) 5.456 11.379 ( -3.152 3.846 5.903) 7.718 11.639 ( -1.907 3.245 3.448) 5.104 11.662 ( -1.664 0.558 -3.463) 3.882 11.697 ( -6.536 -6.583 1.186) 9.352 12.003 ( 1.361 10.036 -10.324) 14.462 12.161 ( -1.830 2.322 -3.198) 4.356 12.482 ( 9.951 3.464 -5.537) 11.903 12.565 ( -0.784 -0.921 11.231) 11.296 12.820 ( -10.586 -7.594 -1.041) 13.070 13.034 ( -2.027 -3.121 -3.932) 5.414 13.119 ( -0.092 8.911 -1.718) 9.076 13.259 ( -7.318 7.861 -11.293) 15.585 13.370 ( 6.641 -3.831 4.665) 8.975 13.940 ( -6.397 -0.440 3.792) 7.449 14.271 ( -8.517 -3.131 -3.577) 9.754 14.664 ( -13.673 -13.142 0.748) 18.980 16.125 ( 18.058 7.308 4.134) 19.914 16.761 ( 22.325 9.334 11.323) 26.716 17.005 ( -2.762 -2.752 8.204) 9.084 17.104 ( 7.754 -2.642 -4.213) 9.212 20.639 ( -4.649 -0.177 2.693) 5.376 20.844 ( 3.816 2.835 -2.885) 5.560 21.277 ( -0.543 2.181 -4.502) 5.032 21.335 ( -3.561 5.987 -2.939) 7.560 21.429 ( -0.581 1.497 -2.749) 3.184 22.173 ( 8.407 0.555 13.943) 16.291 22.366 ( -22.175 1.800 -10.937) 24.791 22.527 ( -5.526 -5.374 7.609) 10.831 22.763 ( -8.350 -6.622 -1.262) 10.731 22.862 ( 2.986 -6.153 1.620) 7.029 23.234 ( -0.459 -2.139 -7.108) 7.437 23.455 ( -1.447 -1.331 -0.653) 2.072 23.590 ( -0.519 1.047 1.554) 1.944 23.630 ( 0.570 -0.798 1.230) 1.573 23.711 ( 13.597 0.523 9.002) 16.316 24.269 ( 15.670 6.253 -7.543) 18.481 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 0.283 -22.964 -7.631) 24.200 1.605 ( 5.206 -16.670 -10.729) 20.496 1.812 ( -2.584 -17.195 -7.413) 18.902 1.935 ( -0.632 -6.061 7.281) 9.495 2.084 ( 10.171 -1.697 -0.266) 10.315 2.124 ( 8.113 -6.039 -4.826) 11.206 2.405 ( -3.711 -9.438 -2.404) 10.422 2.583 ( -1.141 -2.609 -8.677) 9.133 2.745 ( -5.067 -9.342 1.111) 10.685 2.814 ( -3.489 -3.408 0.433) 4.897 2.852 ( -6.111 0.290 1.058) 6.209 2.970 ( 3.089 -4.264 4.147) 6.702 3.177 ( -1.131 -0.440 9.249) 9.328 3.242 ( -4.983 2.286 -3.570) 6.543 3.427 ( 0.301 1.755 1.350) 2.234 3.642 ( -1.146 2.148 -4.099) 4.768 3.674 ( 2.980 -4.435 4.332) 6.879 3.725 ( 4.759 -2.805 7.106) 9.000 3.829 ( -2.135 -2.565 -1.027) 3.492 4.008 ( -2.233 -4.245 -3.204) 5.768 4.138 ( -0.686 -8.259 -1.151) 8.367 4.260 ( 4.299 0.517 -5.614) 7.090 4.304 ( 1.915 3.802 -1.608) 4.551 4.633 ( -3.473 3.245 5.543) 7.302 4.866 ( -4.217 2.999 -4.866) 7.103 5.000 ( 5.240 4.495 -1.992) 7.185 5.183 ( -1.442 0.129 0.965) 1.739 5.288 ( 0.390 -6.030 2.734) 6.632 5.291 ( -2.639 1.001 6.741) 7.308 5.443 ( 0.330 2.965 -1.894) 3.534 5.486 ( 5.929 5.150 1.581) 8.011 5.562 ( -0.634 3.448 6.376) 7.277 5.656 ( 2.555 -0.773 -5.465) 6.082 5.691 ( -0.550 1.161 1.485) 1.963 5.876 ( -1.581 2.461 -2.992) 4.184 6.139 ( 7.038 0.899 7.788) 10.535 6.269 ( -4.188 0.433 6.019) 7.346 6.382 ( -0.047 3.401 -1.433) 3.691 6.680 ( -1.008 -4.159 -2.858) 5.146 6.833 ( 1.845 -1.026 -4.754) 5.202 7.527 ( 2.562 2.012 1.951) 3.797 7.627 ( 1.356 5.551 -0.993) 5.800 7.698 ( -1.281 3.907 0.169) 4.115 7.745 ( 2.939 2.390 3.343) 5.052 7.945 ( -0.913 -1.838 0.814) 2.208 7.994 ( -2.734 0.184 0.656) 2.818 8.163 ( -0.525 -1.916 -1.464) 2.468 8.403 ( 0.166 1.446 0.085) 1.458 8.918 ( -8.970 -2.665 3.408) 9.959 9.070 ( -3.579 0.700 -2.787) 4.590 9.403 ( -3.465 -4.526 -4.136) 7.043 9.664 ( 3.376 2.326 -6.525) 7.706 9.830 ( 7.026 4.336 0.522) 8.273 9.960 ( -6.115 -10.547 -0.515) 12.203 10.228 ( 2.955 1.461 -1.357) 3.565 10.341 ( -0.227 -2.722 0.479) 2.773 10.474 ( 2.464 -5.503 0.277) 6.035 10.624 ( -7.757 -1.500 -3.163) 8.510 10.825 ( 1.157 1.548 7.633) 7.873 11.170 ( -1.330 -0.940 1.428) 2.166 11.352 ( 3.699 1.900 -1.035) 4.285 11.468 ( 0.986 9.479 -2.867) 9.952 11.661 ( -2.699 -0.590 0.196) 2.770 11.773 ( -11.545 -7.478 2.505) 13.982 11.890 ( 5.848 1.789 -4.446) 7.561 12.088 ( -2.002 0.921 -3.455) 4.098 12.450 ( 6.734 4.979 -2.414) 8.716 12.538 ( -3.317 3.938 7.019) 8.705 12.757 ( -8.169 10.061 -7.941) 15.199 12.887 ( -0.677 1.888 -5.915) 6.246 13.087 ( -0.953 -4.640 0.714) 4.790 13.154 ( 4.032 2.925 0.842) 5.052 13.556 ( 4.147 -5.313 3.771) 7.723 13.932 ( -5.552 -2.052 3.209) 6.733 14.279 ( -5.792 -5.724 -1.281) 8.243 14.799 ( -14.137 -12.980 0.026) 19.192 16.115 ( 18.112 11.639 2.862) 21.719 16.721 ( 11.059 13.554 5.828) 18.438 17.081 ( -2.428 -2.914 7.498) 8.403 17.176 ( 4.675 -1.236 -3.196) 5.796 20.601 ( -3.737 1.987 2.185) 4.763 20.783 ( 2.456 3.007 -5.312) 6.580 21.175 ( -2.187 3.378 -3.292) 5.199 21.283 ( 2.402 -0.191 1.290) 2.733 21.414 ( -0.745 -1.667 -3.916) 4.321 22.001 ( -11.328 8.422 -6.793) 15.665 22.375 ( -0.128 -4.808 6.772) 8.306 22.658 ( -1.654 -7.094 7.152) 10.209 22.795 ( -4.688 -4.035 -2.854) 6.812 23.041 ( 2.218 -9.048 2.846) 9.741 23.252 ( -1.393 -3.515 -4.994) 6.263 23.470 ( -1.356 -2.092 -1.450) 2.884 23.573 ( -0.450 1.128 1.532) 1.955 23.649 ( -0.763 -0.761 0.611) 1.239 23.826 ( 9.443 3.426 9.207) 13.626 24.184 ( 10.496 10.384 -6.627) 16.184 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.720 ( 3.807 -9.158 -8.464) 13.039 1.897 ( 1.972 -9.621 -7.044) 12.086 2.019 ( -2.611 -3.767 -4.845) 6.669 2.088 ( 0.067 -16.782 3.495) 17.142 2.152 ( 2.008 0.459 1.874) 2.785 2.339 ( 8.234 -5.998 5.264) 11.467 2.442 ( -1.371 -2.299 0.553) 2.733 2.590 ( -6.069 -4.992 -4.759) 9.187 2.789 ( -1.786 -4.140 1.682) 4.812 2.809 ( -3.693 0.142 0.236) 3.703 2.994 ( -0.686 -9.180 -0.836) 9.243 3.026 ( 2.799 6.214 5.526) 8.774 3.107 ( -3.841 3.364 -2.751) 5.800 3.252 ( -1.241 -5.936 3.632) 7.069 3.423 ( 2.264 1.481 3.938) 4.778 3.616 ( 1.144 -0.040 -3.048) 3.256 3.668 ( -2.238 2.464 7.153) 7.889 3.852 ( -4.834 -3.773 -2.137) 6.494 3.921 ( 1.960 -4.703 -6.261) 8.072 4.042 ( -4.942 -1.766 -8.186) 9.724 4.115 ( -0.145 -0.080 -0.747) 0.765 4.346 ( 10.487 -6.678 -7.289) 14.412 4.389 ( 1.083 -6.079 3.953) 7.332 4.585 ( -2.512 3.303 4.114) 5.843 4.747 ( -1.036 3.469 1.040) 3.767 4.990 ( 4.659 0.941 1.563) 5.003 5.121 ( -8.142 0.870 0.816) 8.229 5.275 ( 0.949 2.994 4.700) 5.653 5.340 ( -0.420 2.304 -5.101) 5.613 5.428 ( 2.005 2.453 0.580) 3.221 5.433 ( 7.374 0.877 -1.312) 7.541 5.594 ( 2.476 3.308 3.744) 5.576 5.640 ( 2.709 -0.115 -0.146) 2.716 5.719 ( -6.848 -3.890 7.533) 10.898 5.807 ( 0.225 1.450 -5.397) 5.593 6.178 ( 0.002 2.517 4.714) 5.344 6.265 ( -0.802 -0.010 5.882) 5.936 6.332 ( 2.046 2.077 -3.418) 4.493 6.687 ( -1.551 0.225 -1.697) 2.310 6.823 ( -1.719 -0.258 -4.652) 4.966 7.444 ( -0.565 5.278 2.455) 5.848 7.567 ( -0.314 3.404 -2.490) 4.229 7.647 ( 4.072 3.956 0.991) 5.763 7.728 ( 4.203 -0.679 -1.123) 4.403 7.874 ( -2.173 5.951 4.463) 7.749 8.063 ( -1.801 -4.891 0.634) 5.251 8.175 ( -1.522 -1.170 -0.816) 2.085 8.342 ( -2.985 2.423 -0.804) 3.928 8.969 ( 1.876 -2.926 -3.601) 5.005 9.103 ( 2.653 -3.295 10.141) 10.988 9.417 ( -6.600 -4.288 -5.781) 9.766 9.613 ( 3.353 2.880 -3.286) 5.508 9.774 ( 3.332 5.628 -0.174) 6.543 10.115 ( -6.916 -11.187 -2.840) 13.455 10.242 ( 3.009 -0.591 -1.411) 3.375 10.410 ( 1.068 -0.963 4.698) 4.913 10.507 ( -5.947 -0.941 -3.276) 6.855 10.625 ( 2.043 -3.603 -2.209) 4.694 10.833 ( 2.298 2.731 5.267) 6.362 11.179 ( -4.441 -1.811 0.359) 4.810 11.271 ( 4.322 6.971 -1.427) 8.326 11.406 ( 0.388 -0.872 -0.838) 1.270 11.628 ( 0.488 2.306 -0.401) 2.391 11.800 ( -5.767 -2.916 -0.281) 6.468 11.933 ( -1.656 -4.414 -0.092) 4.716 12.074 ( -2.070 -2.535 -3.466) 4.767 12.386 ( 1.616 6.537 2.441) 7.162 12.484 ( -4.964 2.958 4.375) 7.248 12.534 ( 3.665 2.829 -4.499) 6.456 12.815 ( -1.499 0.819 -7.384) 7.579 13.162 ( 6.019 1.237 1.400) 6.302 13.177 ( 3.451 -1.805 1.395) 4.137 13.643 ( 0.287 -1.266 1.405) 1.913 13.939 ( -6.365 -1.825 2.638) 7.128 14.364 ( 0.458 -5.475 0.462) 5.513 14.893 ( -14.573 -10.363 -0.914) 17.906 16.047 ( 16.781 12.365 1.246) 20.882 16.556 ( 1.577 11.317 2.497) 11.696 17.138 ( -3.052 -1.543 6.768) 7.583 17.197 ( 3.083 -0.024 -4.964) 5.843 20.550 ( -0.702 1.573 1.621) 2.365 20.736 ( 0.133 0.776 -3.870) 3.949 21.129 ( 0.383 0.244 -0.491) 0.668 21.313 ( 0.245 -0.215 0.722) 0.792 21.431 ( -0.040 -2.270 -1.799) 2.896 21.763 ( -9.415 3.354 -6.830) 12.106 22.484 ( 4.434 -1.395 6.604) 8.076 22.796 ( -1.675 -3.009 -2.416) 4.207 22.829 ( 1.567 -4.724 6.123) 7.891 23.233 ( 3.060 -5.924 2.761) 7.217 23.276 ( -4.138 -4.694 -3.500) 7.170 23.489 ( -1.428 -2.129 -2.230) 3.398 23.557 ( -0.193 1.267 1.524) 1.992 23.653 ( -1.995 -0.906 -0.152) 2.196 23.840 ( 4.480 5.178 4.808) 8.367 24.016 ( 4.882 10.740 -4.822) 12.745 ======================= Grid point 212 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.773 ( 4.036 3.332 -5.000) 7.238 1.968 ( -3.339 0.757 -5.762) 6.702 2.028 ( -7.760 -3.490 6.037) 10.433 2.115 ( 1.019 0.827 -6.914) 7.038 2.338 ( 5.159 -1.454 1.420) 5.545 2.405 ( 0.732 -1.539 12.076) 12.195 2.595 ( -2.161 -3.152 1.963) 4.296 2.644 ( 4.832 -6.042 3.520) 8.499 2.706 ( -5.268 7.071 -0.999) 8.874 2.878 ( 4.063 -0.680 3.083) 5.146 2.951 ( 0.366 0.160 5.923) 5.937 3.131 ( 5.411 -5.492 -1.970) 7.958 3.144 ( 0.537 -9.126 -7.340) 11.724 3.323 ( -1.621 0.537 1.324) 2.161 3.360 ( 4.564 9.829 0.434) 10.846 3.613 ( 2.299 -0.745 -4.083) 4.745 3.653 ( -6.241 -0.161 4.911) 7.943 3.817 ( -5.501 2.606 -2.021) 6.414 3.856 ( -5.603 2.286 -9.750) 11.475 3.947 ( -8.112 -1.400 -3.862) 9.093 4.214 ( 8.567 -2.341 -2.604) 9.255 4.385 ( -6.997 4.885 6.767) 10.891 4.525 ( 4.778 -4.689 -4.783) 8.227 4.578 ( 2.407 -1.059 1.830) 3.204 4.733 ( 2.711 1.633 5.167) 6.060 5.020 ( 1.838 4.071 3.114) 5.445 5.073 ( -1.202 -2.387 -0.538) 2.726 5.261 ( -0.577 1.317 0.817) 1.654 5.272 ( -2.031 -2.442 -0.392) 3.200 5.403 ( 2.597 0.720 -0.912) 2.845 5.485 ( 6.851 0.364 -6.469) 9.430 5.542 ( -1.363 3.013 3.600) 4.889 5.631 ( -1.420 1.421 3.466) 4.007 5.751 ( 1.973 2.065 -5.380) 6.091 5.809 ( -1.478 -2.658 5.608) 6.379 6.133 ( -6.278 1.838 0.391) 6.553 6.277 ( 3.296 2.834 -4.207) 6.049 6.289 ( 0.691 0.231 2.508) 2.612 6.669 ( -2.565 -0.992 2.493) 3.712 6.777 ( -3.055 -0.868 -5.720) 6.543 7.411 ( 1.347 -0.291 2.090) 2.503 7.529 ( -0.759 -1.582 -2.935) 3.419 7.600 ( 2.806 3.488 1.551) 4.737 7.759 ( -1.975 3.735 1.229) 4.400 7.848 ( 6.809 -3.445 0.400) 7.641 8.126 ( -4.361 -2.213 -0.580) 4.925 8.144 ( -0.154 1.000 1.436) 1.757 8.310 ( -2.591 -1.820 -0.894) 3.290 9.033 ( 7.201 -2.678 -2.783) 8.171 9.230 ( 7.696 2.133 9.830) 12.665 9.398 ( -9.350 -3.751 -4.385) 10.987 9.580 ( -0.467 3.522 0.292) 3.565 9.728 ( 3.348 -0.800 0.726) 3.518 10.181 ( -8.176 -4.099 -4.087) 10.018 10.262 ( 1.860 0.342 -1.413) 2.361 10.409 ( -2.826 0.533 2.839) 4.041 10.485 ( -0.408 0.176 -1.433) 1.500 10.642 ( -0.801 0.943 -2.011) 2.361 10.865 ( 7.274 1.426 3.782) 8.322 11.120 ( -1.742 3.092 -4.514) 5.742 11.265 ( 0.140 -1.785 6.705) 6.940 11.424 ( -1.869 -1.740 -2.882) 3.851 11.622 ( 4.075 -0.431 0.874) 4.190 11.785 ( -2.048 -0.165 -1.948) 2.831 11.979 ( -3.604 -2.004 -2.288) 4.716 12.082 ( -5.180 -3.630 -2.365) 6.753 12.294 ( 1.619 3.682 2.685) 4.836 12.432 ( -4.281 0.408 1.374) 4.515 12.625 ( 5.665 -6.153 4.899) 9.693 12.807 ( 0.333 -4.911 -5.924) 7.702 13.189 ( 9.930 3.165 -0.887) 10.460 13.233 ( 3.629 0.344 1.901) 4.111 13.647 ( 0.662 1.223 -0.100) 1.395 13.910 ( -8.858 -0.728 1.607) 9.032 14.476 ( 6.731 -2.746 1.057) 7.346 14.920 ( -14.912 -6.536 -1.999) 16.404 15.974 ( 14.692 9.631 0.052) 17.567 16.378 ( -6.730 6.204 0.376) 9.161 17.152 ( -1.390 0.807 2.663) 3.111 17.183 ( 0.404 0.837 -2.656) 2.814 20.565 ( 1.876 -1.394 2.698) 3.570 20.714 ( -1.619 -0.938 -2.316) 2.978 21.143 ( 1.731 -0.157 1.164) 2.092 21.287 ( -2.239 1.410 -1.980) 3.305 21.468 ( 0.737 -1.107 1.948) 2.359 21.668 ( -6.377 -3.991 -6.355) 9.847 22.574 ( 6.539 0.162 5.490) 8.539 22.783 ( -0.840 0.422 -3.579) 3.700 22.985 ( 6.536 -3.575 6.847) 10.118 23.241 ( -0.867 2.275 -1.605) 2.916 23.381 ( -0.205 -4.206 1.350) 4.422 23.495 ( -2.427 -1.845 -2.931) 4.229 23.539 ( 0.349 1.496 1.465) 2.123 23.651 ( -3.826 -1.696 -0.432) 4.207 23.775 ( 1.880 5.677 0.876) 6.044 23.851 ( -1.190 5.973 -2.566) 6.609 ======================= Grid point 213 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 5.326 9.288 -6.781) 12.673 1.753 ( -11.582 10.796 3.091) 16.132 2.044 ( -5.019 5.021 10.290) 12.502 2.068 ( 4.055 3.457 -8.226) 9.801 2.308 ( 7.158 7.821 2.667) 10.932 2.466 ( -7.636 8.340 -0.290) 11.311 2.510 ( 3.457 1.890 9.452) 10.240 2.630 ( -1.856 -0.544 -2.191) 2.923 2.798 ( 7.228 -1.794 6.065) 9.605 2.917 ( 2.405 0.249 -1.016) 2.622 3.021 ( 1.818 0.045 6.761) 7.002 3.159 ( -2.040 1.695 -8.337) 8.749 3.225 ( 0.565 9.561 1.398) 9.679 3.244 ( 1.185 1.149 -5.636) 5.873 3.365 ( 6.015 -7.006 5.862) 10.938 3.539 ( -3.873 4.226 -5.968) 8.275 3.602 ( -3.314 1.559 -1.328) 3.896 3.646 ( -3.234 7.409 -4.918) 9.462 3.816 ( -0.080 -3.165 1.078) 3.344 3.906 ( -6.454 -3.993 -3.715) 8.450 4.244 ( 0.059 4.588 2.265) 5.117 4.259 ( -0.057 6.288 1.335) 6.429 4.588 ( 1.096 -1.638 3.409) 3.938 4.613 ( 2.945 -1.525 -2.356) 4.068 4.760 ( 1.753 1.245 5.283) 5.704 4.916 ( -2.852 3.430 -7.655) 8.860 5.174 ( 3.544 -5.094 2.323) 6.626 5.247 ( -3.452 -3.654 -1.119) 5.149 5.380 ( 1.529 -3.789 5.033) 6.483 5.413 ( 0.419 -1.097 2.385) 2.659 5.446 ( 3.992 4.002 -4.001) 6.925 5.521 ( -1.236 -0.945 -0.454) 1.621 5.652 ( 2.571 -0.262 -1.885) 3.199 5.684 ( -1.010 4.201 2.171) 4.836 5.844 ( -0.629 -0.709 2.107) 2.310 5.959 ( -6.570 7.202 -5.070) 10.988 6.284 ( 4.626 -1.787 -2.869) 5.729 6.325 ( -2.416 -2.746 1.210) 3.852 6.712 ( -0.670 -2.758 4.121) 5.004 6.767 ( -1.672 -2.753 -4.096) 5.211 7.486 ( 3.130 -4.043 1.662) 5.376 7.562 ( -2.146 -4.554 -3.415) 6.083 7.602 ( 1.948 0.436 4.106) 4.566 7.677 ( -1.960 2.704 -1.885) 3.835 7.970 ( 5.504 -3.058 -1.972) 6.598 8.048 ( -5.413 1.413 1.708) 5.849 8.217 ( 4.176 -1.877 1.532) 4.828 8.311 ( -4.139 -1.439 -1.341) 4.583 9.165 ( 11.722 -4.133 -2.510) 12.680 9.274 ( 8.427 3.549 5.816) 10.837 9.370 ( -12.196 -5.309 -1.365) 13.371 9.448 ( -6.931 5.172 -1.336) 8.751 9.864 ( 8.294 -2.787 7.751) 11.689 10.095 ( -6.661 2.388 -6.172) 9.390 10.254 ( 2.160 2.233 2.122) 3.762 10.351 ( -5.850 1.146 -2.608) 6.506 10.512 ( 3.199 -0.576 1.396) 3.538 10.593 ( -2.267 1.366 -2.376) 3.557 10.897 ( 5.643 2.793 4.022) 7.472 11.021 ( -4.068 2.369 -4.397) 6.442 11.358 ( 0.117 -3.409 5.027) 6.075 11.404 ( 0.614 -0.012 -3.575) 3.628 11.693 ( 3.688 -1.124 0.383) 3.874 11.762 ( -4.252 -0.005 0.018) 4.252 11.968 ( 4.745 -1.389 -1.735) 5.239 12.090 ( -8.368 -4.799 -2.678) 10.011 12.328 ( 0.698 -1.788 8.439) 8.655 12.416 ( -0.507 -2.221 -6.470) 6.860 12.845 ( 1.798 -8.879 7.773) 11.937 12.920 ( 0.209 -8.782 -4.463) 9.853 13.200 ( 9.485 3.511 -2.114) 10.333 13.242 ( 1.726 2.261 2.344) 3.686 13.628 ( 7.766 3.448 0.141) 8.498 13.835 ( -11.813 -0.346 -0.341) 11.823 14.591 ( 12.053 -0.297 2.450) 12.303 14.860 ( -15.081 -2.097 -3.123) 15.543 15.956 ( 14.135 5.071 -0.258) 15.020 16.211 ( -14.500 2.485 -0.889) 14.739 17.119 ( 2.598 2.809 -3.243) 5.016 17.142 ( -3.678 2.261 2.583) 5.031 20.649 ( 3.804 -3.201 1.551) 5.208 20.719 ( -3.093 -2.265 -0.009) 3.833 21.168 ( 1.882 -0.586 0.686) 2.087 21.226 ( -3.182 0.889 -1.637) 3.687 21.530 ( 4.021 -2.227 5.053) 6.831 21.688 ( -6.659 -6.257 -7.144) 11.599 22.639 ( 5.452 1.389 4.576) 7.252 22.732 ( -0.290 2.388 -4.093) 4.747 23.115 ( 7.352 0.730 1.463) 7.532 23.147 ( 0.059 7.010 0.994) 7.081 23.407 ( 2.738 1.116 1.705) 3.413 23.491 ( -2.821 -0.997 -2.682) 4.018 23.539 ( 2.072 -0.367 2.691) 3.416 23.636 ( -3.979 0.056 0.559) 4.018 23.698 ( 0.940 3.563 -0.439) 3.711 23.762 ( -8.039 -1.886 -2.427) 8.607 ======================= Grid point 214 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 9.109 11.430 -7.552) 16.451 1.481 ( -9.109 11.430 7.552) 16.451 1.889 ( 6.121 12.205 -10.489) 17.217 1.889 ( -6.121 12.205 10.489) 17.217 2.230 ( -8.513 10.597 -4.455) 14.304 2.230 ( 8.513 10.597 4.455) 14.304 2.503 ( -1.097 7.608 -15.730) 17.508 2.503 ( 1.097 7.608 15.730) 17.508 2.858 ( -8.600 7.117 -5.493) 12.442 2.858 ( 8.600 7.117 5.493) 12.442 3.059 ( -4.338 0.996 -7.429) 8.660 3.059 ( 4.338 0.996 7.429) 8.660 3.083 ( 1.458 4.421 -7.855) 9.131 3.083 ( -1.458 4.421 7.855) 9.131 3.514 ( 2.370 -1.497 -3.654) 4.606 3.514 ( -2.370 -1.497 3.654) 4.606 3.552 ( -3.089 -1.192 -2.040) 3.889 3.552 ( 3.089 -1.192 2.040) 3.889 3.921 ( -5.018 -3.068 -4.526) 7.422 3.921 ( 5.018 -3.068 4.526) 7.422 4.156 ( 3.208 3.396 -5.650) 7.331 4.156 ( -3.208 3.396 5.650) 7.331 4.641 ( -0.710 0.830 -4.430) 4.562 4.641 ( 0.710 0.830 4.430) 4.562 4.803 ( -4.706 -2.018 -2.970) 5.920 4.803 ( 4.706 -2.018 2.970) 5.920 5.280 ( -1.140 0.114 -2.545) 2.791 5.280 ( 1.140 0.114 2.545) 2.791 5.436 ( 6.113 -2.447 -4.376) 7.906 5.436 ( -6.113 -2.447 4.376) 7.906 5.514 ( 0.626 -1.401 -10.642) 10.752 5.514 ( -0.626 -1.401 10.642) 10.752 5.590 ( -1.358 3.536 -3.963) 5.483 5.590 ( 1.358 3.536 3.963) 5.483 5.903 ( 0.969 -6.666 -1.122) 6.829 5.903 ( -0.969 -6.666 1.122) 6.829 6.334 ( 5.566 -0.061 -5.863) 8.085 6.334 ( -5.566 -0.061 5.863) 8.085 6.773 ( -1.474 -0.319 -2.652) 3.051 6.773 ( 1.474 -0.319 2.652) 3.051 7.574 ( -2.127 0.790 -3.990) 4.591 7.574 ( 2.127 0.790 3.990) 4.591 7.654 ( 0.676 -4.119 -3.585) 5.502 7.654 ( -0.676 -4.119 3.585) 5.502 8.014 ( -0.997 0.537 -0.512) 1.243 8.014 ( 0.997 0.537 0.512) 1.243 8.277 ( -3.913 0.281 -2.374) 4.585 8.277 ( 3.913 0.281 2.374) 4.585 9.292 ( -0.829 0.934 -3.467) 3.685 9.292 ( 0.829 0.934 3.467) 3.685 9.388 ( -8.608 -6.142 -0.553) 10.589 9.388 ( 8.608 -6.142 0.553) 10.589 9.958 ( 1.995 3.526 -12.329) 12.978 9.958 ( -1.995 3.526 12.329) 12.978 10.268 ( -3.297 0.946 -5.873) 6.801 10.268 ( 3.297 0.946 5.873) 6.801 10.529 ( -2.643 2.229 -2.221) 4.110 10.529 ( 2.643 2.229 2.221) 4.110 10.928 ( -5.479 0.635 -3.255) 6.405 10.928 ( 5.479 0.635 3.255) 6.405 11.427 ( 5.347 -3.200 -5.417) 8.256 11.427 ( -5.347 -3.200 5.417) 8.256 11.716 ( 2.190 0.826 -3.831) 4.489 11.716 ( -2.190 0.826 3.831) 4.489 12.108 ( -6.581 -5.697 -2.898) 9.174 12.108 ( 6.581 -5.697 2.898) 9.174 12.408 ( 1.228 -0.684 -11.330) 11.417 12.408 ( -1.228 -0.684 11.330) 11.417 13.022 ( -0.991 -4.464 -4.670) 6.536 13.022 ( 0.991 -4.464 4.670) 6.536 13.198 ( -0.987 1.794 -3.221) 3.817 13.198 ( 0.987 1.794 3.221) 3.817 13.729 ( -15.291 -2.619 -5.179) 16.356 13.729 ( 15.291 -2.619 5.179) 16.356 14.714 ( -10.583 1.834 -7.389) 13.037 14.714 ( 10.583 1.834 7.389) 13.037 16.028 ( -2.818 1.554 -10.424) 10.909 16.028 ( 2.818 1.554 10.424) 10.909 17.069 ( 5.642 3.574 -6.593) 9.385 17.069 ( -5.642 3.574 6.593) 9.385 20.733 ( 2.993 -1.623 -2.880) 4.459 20.733 ( -2.993 -1.623 2.880) 4.459 21.223 ( -0.557 -4.062 -1.315) 4.306 21.223 ( 0.557 -4.062 1.315) 4.306 21.676 ( -8.187 -3.482 -9.403) 12.945 21.676 ( 8.187 -3.482 9.403) 12.945 22.652 ( 1.022 2.976 -7.370) 8.013 22.652 ( -1.022 2.976 7.370) 8.013 23.014 ( -2.502 9.378 -3.456) 10.303 23.014 ( 2.502 9.378 3.456) 10.303 23.455 ( -2.373 0.260 -4.252) 4.877 23.455 ( 2.373 0.260 4.252) 4.877 23.605 ( 1.556 0.590 -0.897) 1.891 23.605 ( -1.556 0.590 0.897) 1.891 23.722 ( -12.704 -4.189 -3.976) 13.956 23.722 ( 12.704 -4.189 3.976) 13.956 ======================= Grid point 218 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.679 ( 2.915 0.000 -7.322) 7.881 1.225 ( -4.585 -0.000 -9.997) 10.998 1.233 ( 3.407 0.000 -20.468) 20.750 1.788 ( 4.425 0.000 9.541) 10.517 2.014 ( 7.575 0.000 -1.667) 7.756 2.075 ( 0.079 0.000 -4.454) 4.455 2.134 ( 17.755 0.000 -9.019) 19.914 2.379 ( -0.903 -0.000 13.578) 13.608 2.628 ( 6.363 0.000 -5.812) 8.618 2.630 ( -10.765 -0.000 -12.873) 16.781 2.908 ( -3.779 -0.000 -1.522) 4.074 3.032 ( -12.503 -0.000 3.448) 12.970 3.147 ( -3.691 -0.000 14.063) 14.539 3.282 ( 4.027 0.000 -8.586) 9.483 3.359 ( -1.047 -0.000 -0.795) 1.315 3.428 ( 12.815 0.000 0.233) 12.817 3.714 ( -9.987 -0.000 -4.536) 10.969 3.789 ( 1.321 0.000 4.566) 4.753 3.841 ( 1.373 0.000 4.466) 4.672 3.881 ( -2.997 -0.000 3.644) 4.718 4.021 ( -0.495 -0.000 0.545) 0.736 4.348 ( -4.557 -0.000 0.152) 4.560 4.362 ( 2.361 0.000 -3.131) 3.921 4.784 ( -6.981 -0.000 0.528) 7.001 4.875 ( 2.514 0.000 -3.057) 3.958 5.034 ( -4.908 -0.000 6.750) 8.346 5.141 ( 11.614 0.000 3.000) 11.995 5.179 ( -0.126 -0.000 5.347) 5.349 5.386 ( 1.040 0.000 2.334) 2.555 5.392 ( -1.073 -0.000 -2.088) 2.348 5.598 ( 0.089 0.000 -2.939) 2.941 5.663 ( 1.225 0.000 8.677) 8.763 5.821 ( 5.424 0.000 -4.903) 7.312 5.826 ( -12.082 -0.000 -7.071) 13.999 5.924 ( 2.897 0.000 -2.904) 4.102 6.104 ( 14.184 0.000 6.095) 15.438 6.248 ( -8.889 -0.000 7.847) 11.857 6.413 ( 2.734 0.000 -8.227) 8.670 6.599 ( -6.382 -0.000 5.796) 8.621 6.732 ( 10.541 0.000 -10.607) 14.953 7.567 ( 2.903 0.000 1.491) 3.263 7.595 ( 1.571 0.000 2.984) 3.372 7.801 ( 2.490 0.000 5.740) 6.257 7.826 ( 5.333 0.000 -1.297) 5.489 7.871 ( -2.574 -0.000 0.304) 2.592 7.977 ( -3.242 -0.000 -3.684) 4.908 8.148 ( -1.078 -0.000 -0.105) 1.083 8.406 ( 1.932 0.000 0.740) 2.069 9.008 ( -18.033 -0.000 7.627) 19.580 9.041 ( -8.518 -0.000 -4.907) 9.830 9.314 ( -6.767 -0.000 -4.986) 8.405 9.520 ( -3.665 -0.000 -15.640) 16.064 9.783 ( 3.529 0.000 -1.847) 3.983 9.984 ( 4.604 0.000 5.256) 6.987 10.294 ( -3.957 -0.000 2.518) 4.690 10.321 ( 5.592 0.000 -1.976) 5.931 10.336 ( 4.789 0.000 -2.589) 5.444 10.531 ( -3.807 -0.000 0.864) 3.904 10.843 ( -4.965 -0.000 4.820) 6.920 11.110 ( -9.119 -0.000 -12.017) 15.085 11.471 ( -2.836 -0.000 11.841) 12.175 11.516 ( 2.406 0.000 -3.009) 3.853 11.654 ( -1.760 -0.000 4.302) 4.648 11.694 ( -1.607 -0.000 0.873) 1.829 12.153 ( -1.605 -0.000 -3.359) 3.723 12.167 ( 6.346 0.000 -13.865) 15.248 12.524 ( 1.785 0.000 6.475) 6.716 12.562 ( 9.000 0.000 -7.890) 11.969 12.718 ( -6.629 -0.000 10.295) 12.245 12.954 ( -2.171 -0.000 -6.035) 6.414 13.221 ( -3.001 -0.000 -7.934) 8.483 13.233 ( 2.424 0.000 2.017) 3.154 13.416 ( 4.495 0.000 2.077) 4.951 13.873 ( -9.165 -0.000 2.418) 9.479 14.173 ( -6.674 -0.000 -3.232) 7.415 14.383 ( -15.513 -0.000 1.323) 15.570 16.389 ( 21.706 0.000 2.155) 21.813 16.985 ( -1.487 -0.000 8.512) 8.641 17.102 ( 8.005 0.000 -7.005) 10.637 17.139 ( 11.741 0.000 20.707) 23.804 20.618 ( -3.935 -0.000 4.267) 5.804 20.890 ( 2.888 0.000 -3.368) 4.436 21.245 ( -4.042 -0.000 -7.894) 8.868 21.311 ( -0.213 -0.000 -3.101) 3.108 21.510 ( -2.422 -0.000 3.914) 4.603 21.974 ( -23.150 -0.000 -19.019) 29.961 22.360 ( 3.049 0.000 5.370) 6.175 22.497 ( -0.484 -0.000 8.967) 8.980 22.654 ( -4.311 -0.000 3.925) 5.830 22.834 ( 2.189 0.000 1.114) 2.456 23.178 ( 1.152 0.000 -7.131) 7.224 23.419 ( -2.135 -0.000 -1.714) 2.738 23.609 ( -0.772 -0.000 2.227) 2.356 23.627 ( 0.339 0.000 0.750) 0.823 23.929 ( 13.928 0.000 19.155) 23.684 24.404 ( 13.746 0.000 -10.929) 17.561 ======================= Grid point 219 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 2.059 -24.078 -2.246) 24.270 1.322 ( 11.419 -13.118 -11.172) 20.671 1.387 ( -2.013 -19.158 -8.228) 20.947 1.924 ( 2.258 -7.076 7.081) 10.261 2.083 ( 8.430 -0.315 -6.583) 10.701 2.117 ( 0.702 -8.213 -1.975) 8.476 2.209 ( 6.510 0.242 -1.251) 6.633 2.451 ( -8.220 -1.759 -10.117) 13.153 2.565 ( 0.365 -8.695 5.948) 10.541 2.684 ( -0.636 -3.262 -4.953) 5.965 2.852 ( -7.897 1.876 2.948) 8.635 2.974 ( 1.823 -1.148 1.666) 2.724 3.153 ( -5.219 -0.242 7.080) 8.799 3.252 ( 0.010 1.402 -2.372) 2.755 3.461 ( 1.261 -5.013 -0.923) 5.250 3.524 ( -1.423 -2.475 -1.699) 3.322 3.591 ( -0.288 -2.290 -6.878) 7.255 3.808 ( -0.431 0.544 3.652) 3.718 3.865 ( 3.102 2.664 4.196) 5.858 3.928 ( 0.779 -2.157 3.496) 4.181 4.042 ( -0.039 -1.884 1.443) 2.373 4.244 ( -2.534 3.021 -4.021) 5.632 4.381 ( 0.891 -0.071 -0.533) 1.040 4.684 ( -6.601 2.328 0.053) 7.000 4.858 ( -0.027 1.910 -3.239) 3.760 5.024 ( -5.481 -0.468 0.914) 5.576 5.175 ( -3.391 1.792 1.687) 4.190 5.252 ( 8.755 -0.888 -3.853) 9.607 5.372 ( 1.862 1.047 10.933) 11.140 5.452 ( 0.460 -1.423 1.748) 2.301 5.584 ( 1.550 -0.006 -1.588) 2.219 5.641 ( -1.755 3.080 -2.419) 4.292 5.679 ( 1.902 4.957 5.377) 7.556 5.813 ( 1.693 5.767 1.257) 6.141 5.889 ( 4.954 2.148 -4.997) 7.357 6.228 ( -4.030 -2.426 3.239) 5.711 6.279 ( 10.669 0.459 10.350) 14.872 6.476 ( -4.986 6.317 1.904) 8.270 6.508 ( -2.248 -8.348 -4.735) 9.857 6.792 ( 4.634 -2.156 -8.821) 10.195 7.578 ( 5.204 0.045 1.576) 5.438 7.705 ( -0.118 -3.248 1.654) 3.647 7.743 ( -2.866 6.302 1.321) 7.048 7.821 ( 3.673 2.328 1.898) 4.745 7.916 ( 1.123 -1.550 -0.731) 2.049 7.972 ( -0.712 -3.053 -0.703) 3.213 8.135 ( 0.218 0.687 0.429) 0.839 8.416 ( -0.539 0.364 -0.455) 0.794 8.856 ( -10.963 1.717 6.820) 13.025 8.998 ( -4.609 -2.192 -4.570) 6.851 9.255 ( -8.420 -3.694 -2.279) 9.472 9.522 ( -5.493 -11.696 -16.133) 20.670 9.798 ( 3.814 1.494 -0.415) 4.117 10.000 ( 2.581 3.930 3.281) 5.733 10.289 ( 0.144 1.403 2.104) 2.533 10.312 ( 1.716 0.471 0.141) 1.785 10.424 ( 8.128 -4.388 -1.572) 9.369 10.519 ( -7.452 -1.759 -0.648) 7.684 10.826 ( -5.108 -1.206 2.626) 5.869 10.992 ( -12.499 -6.471 -13.607) 19.577 11.484 ( 6.398 3.783 5.731) 9.385 11.558 ( -1.040 0.455 3.962) 4.121 11.652 ( -0.759 3.757 2.636) 4.652 11.689 ( -0.379 -1.320 3.765) 4.008 12.000 ( 8.199 8.651 -10.803) 16.086 12.111 ( -1.093 2.741 -2.500) 3.868 12.550 ( 6.369 3.261 -7.372) 10.273 12.644 ( -2.841 3.441 10.373) 11.292 12.690 ( -4.210 -3.553 -1.489) 5.706 12.942 ( -2.819 -0.101 -7.294) 7.820 13.066 ( 0.763 6.511 0.516) 6.576 13.223 ( 2.773 1.934 0.400) 3.405 13.541 ( 6.740 -4.065 5.145) 9.404 13.836 ( -8.145 -2.756 1.484) 8.726 14.126 ( -5.610 -3.969 -1.336) 7.001 14.420 ( -14.310 -13.195 -0.167) 19.466 16.495 ( 21.019 8.762 1.659) 22.832 17.022 ( -0.759 1.535 6.931) 7.140 17.103 ( 6.423 3.960 -0.003) 7.545 17.213 ( 0.478 4.652 9.504) 10.592 20.611 ( -3.573 0.530 5.469) 6.554 20.839 ( 1.677 3.979 -7.467) 8.625 21.170 ( -2.719 1.176 -5.058) 5.862 21.308 ( -0.886 -1.358 -2.886) 3.311 21.393 ( -0.403 5.157 -1.252) 5.322 21.812 ( -17.497 -6.056 -15.468) 24.126 22.418 ( 5.825 0.253 9.241) 10.926 22.592 ( 1.274 -4.162 7.982) 9.092 22.683 ( -3.392 -3.722 2.047) 5.436 22.910 ( -0.106 -6.483 0.960) 6.555 23.178 ( 2.156 -1.831 -5.027) 5.768 23.404 ( -2.564 -1.711 -2.505) 3.972 23.602 ( -0.297 1.070 1.894) 2.195 23.638 ( -0.350 -0.379 0.489) 0.711 24.072 ( 7.677 5.808 18.569) 20.916 24.386 ( 10.497 6.484 -11.258) 16.702 ======================= Grid point 220 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 2.520 -21.033 -3.635) 21.493 1.632 ( 1.627 -14.505 -10.175) 17.792 1.742 ( 5.597 -21.289 1.705) 22.078 2.052 ( 8.100 2.672 -8.077) 11.746 2.179 ( -2.656 -6.646 8.031) 10.757 2.233 ( 3.285 -5.417 0.303) 6.342 2.334 ( -1.435 -11.294 3.886) 12.030 2.402 ( -4.227 -4.027 -9.157) 10.859 2.676 ( -1.680 -2.526 -1.668) 3.462 2.781 ( -1.335 -9.187 2.861) 9.714 2.809 ( -5.118 -1.584 2.250) 5.811 3.023 ( -3.961 -2.511 -1.917) 5.067 3.143 ( -1.307 0.852 4.315) 4.588 3.249 ( -0.101 -0.980 2.591) 2.772 3.445 ( 1.979 1.994 0.075) 2.810 3.574 ( -2.371 -6.141 -1.392) 6.729 3.705 ( -0.877 -3.696 -0.014) 3.798 3.803 ( -0.081 2.767 6.654) 7.207 3.843 ( 5.510 0.388 -8.023) 9.741 3.939 ( -5.094 1.459 -6.372) 8.287 4.095 ( 3.687 -3.844 3.096) 6.161 4.245 ( 2.271 -4.941 -4.160) 6.847 4.388 ( 2.801 0.055 0.879) 2.936 4.614 ( -5.419 0.485 0.081) 5.441 4.797 ( 0.575 1.890 0.009) 1.975 4.997 ( -3.373 -1.565 -0.230) 3.726 5.106 ( -2.644 2.992 2.354) 4.635 5.292 ( 0.146 -1.236 -5.569) 5.706 5.349 ( -1.644 3.920 4.577) 6.247 5.523 ( 6.061 0.959 2.172) 6.509 5.554 ( 0.111 2.248 -4.890) 5.383 5.584 ( -3.066 0.463 2.912) 4.254 5.682 ( 2.655 2.659 6.325) 7.357 5.772 ( 7.102 3.728 5.384) 9.660 5.855 ( 5.322 3.312 -2.686) 6.819 6.273 ( -0.609 -1.548 1.187) 2.044 6.296 ( -5.494 6.821 5.058) 10.114 6.380 ( 5.091 1.886 5.991) 8.085 6.589 ( -4.892 -6.091 -4.391) 8.962 6.777 ( -0.544 0.610 -8.889) 8.926 7.572 ( -1.091 7.069 2.825) 7.690 7.638 ( -1.567 5.844 -2.308) 6.476 7.694 ( 6.144 -2.414 -0.008) 6.601 7.833 ( 2.969 4.278 1.493) 5.417 7.952 ( -0.222 -3.177 0.251) 3.195 7.986 ( -0.404 2.266 3.802) 4.444 8.140 ( -0.066 -0.458 -0.296) 0.549 8.353 ( -4.824 2.872 -2.342) 6.083 8.904 ( 1.938 -5.814 5.062) 7.949 9.059 ( 3.607 -7.725 0.839) 8.567 9.250 ( -9.070 -3.841 -0.985) 9.899 9.629 ( -3.141 -10.164 -14.478) 17.966 9.791 ( -2.489 -0.413 1.909) 3.164 9.926 ( -0.077 5.531 -0.007) 5.531 10.274 ( 3.421 0.707 -1.034) 3.643 10.383 ( 0.361 -4.465 3.091) 5.443 10.461 ( -5.715 0.918 2.475) 6.296 10.578 ( 8.418 -4.336 -2.651) 9.833 10.826 ( -3.758 -3.476 -3.532) 6.219 11.000 ( -11.278 -8.798 -2.230) 14.476 11.459 ( 7.236 7.970 -0.635) 10.783 11.493 ( 1.761 6.832 2.315) 7.425 11.631 ( -3.238 -0.875 6.141) 6.997 11.704 ( -1.016 0.074 0.178) 1.034 11.931 ( 6.133 1.399 -7.012) 9.420 12.037 ( -2.971 1.804 -0.389) 3.498 12.502 ( 3.101 3.200 -2.939) 5.338 12.541 ( -3.897 5.197 4.850) 8.106 12.630 ( -1.824 6.664 0.023) 6.909 12.794 ( -1.269 3.643 -8.745) 9.558 13.144 ( 4.114 -4.575 3.520) 7.088 13.237 ( 4.178 -0.206 -0.175) 4.187 13.644 ( 2.550 -0.766 2.357) 3.556 13.842 ( -8.066 -3.087 2.313) 8.941 14.234 ( 1.124 -9.115 0.815) 9.220 14.545 ( -13.836 -12.802 -1.333) 18.897 16.457 ( 18.935 13.744 0.938) 23.416 16.849 ( -2.698 16.279 4.826) 17.192 17.126 ( -1.559 -1.138 6.897) 7.162 17.192 ( 1.781 0.021 -4.151) 4.517 20.591 ( -1.782 1.844 5.054) 5.667 20.737 ( 0.541 2.629 -8.263) 8.688 21.130 ( 0.452 -0.190 -0.741) 0.889 21.302 ( -2.997 -1.612 -4.256) 5.450 21.380 ( 2.154 -1.020 2.112) 3.184 21.673 ( -10.393 0.526 -9.473) 14.072 22.530 ( 4.172 -2.051 7.983) 9.238 22.706 ( -0.478 -3.799 -2.324) 4.479 22.777 ( 1.787 -6.193 8.616) 10.760 23.051 ( -3.728 -9.431 -1.478) 10.248 23.226 ( 3.622 -2.513 -0.678) 4.460 23.409 ( -2.815 -2.733 -3.189) 5.056 23.590 ( 0.150 1.172 1.872) 2.214 23.636 ( -0.925 0.113 -0.263) 0.969 24.053 ( 3.526 9.085 11.797) 15.302 24.233 ( 5.868 11.028 -9.564) 15.733 ======================= Grid point 221 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 2.244 -11.677 0.671) 11.909 1.810 ( -1.920 -10.159 -8.229) 13.214 2.011 ( 7.098 2.338 -3.091) 8.087 2.120 ( -7.355 -0.437 3.854) 8.315 2.195 ( 8.248 -10.785 -0.029) 13.577 2.383 ( -9.627 -9.660 -4.694) 14.423 2.487 ( 1.305 -2.243 6.411) 6.917 2.542 ( 3.732 -8.599 0.910) 9.418 2.746 ( -1.323 -4.364 10.477) 11.426 2.848 ( 1.997 -6.291 -0.554) 6.624 2.928 ( -1.819 -7.718 -2.508) 8.316 3.008 ( -3.594 -2.567 -7.794) 8.959 3.155 ( 3.658 5.002 5.645) 8.383 3.241 ( -2.167 -3.058 -0.801) 3.833 3.518 ( 5.694 -1.185 1.475) 6.001 3.598 ( -0.925 3.131 -1.045) 3.428 3.655 ( -4.205 3.706 3.756) 6.747 3.758 ( -6.987 -1.676 -7.758) 10.574 3.833 ( -2.653 1.369 3.931) 4.936 3.863 ( 1.699 -0.539 -7.376) 7.588 4.238 ( 8.045 -3.115 -0.611) 8.648 4.337 ( -4.163 -4.661 -0.599) 6.278 4.458 ( 7.055 -3.658 -2.095) 8.219 4.567 ( -6.102 -0.982 0.904) 6.246 4.834 ( 6.351 0.201 5.223) 8.225 5.002 ( -6.614 -1.351 -2.061) 7.058 5.086 ( 2.375 -0.560 6.992) 7.406 5.229 ( -3.776 -0.712 -6.813) 7.823 5.330 ( 2.026 3.339 3.969) 5.568 5.426 ( -1.214 5.257 -5.492) 7.698 5.543 ( 4.840 2.060 -0.821) 5.324 5.576 ( -0.258 1.682 0.915) 1.932 5.676 ( -2.248 1.325 5.112) 5.740 5.734 ( -1.645 2.172 -3.487) 4.425 5.906 ( 12.303 2.321 6.226) 13.983 6.125 ( -8.359 4.198 -0.399) 9.362 6.321 ( 3.718 1.149 0.661) 3.947 6.372 ( -0.364 3.876 2.626) 4.696 6.628 ( -2.634 -2.818 1.455) 4.123 6.699 ( -3.112 -0.340 -8.121) 8.703 7.470 ( 0.190 4.204 3.279) 5.335 7.518 ( -0.992 3.314 -3.569) 4.970 7.738 ( 4.482 5.927 1.102) 7.512 7.787 ( 1.477 1.667 -0.804) 2.368 7.922 ( 2.529 2.844 3.953) 5.487 8.025 ( -4.083 -3.734 -1.252) 5.673 8.155 ( 1.647 -0.520 1.947) 2.602 8.254 ( -5.039 0.541 -2.511) 5.656 9.042 ( 7.767 -3.179 0.632) 8.416 9.217 ( -9.402 -4.034 -4.229) 11.070 9.348 ( 10.322 -6.575 13.882) 18.507 9.630 ( -0.122 1.240 -10.346) 10.421 9.762 ( -0.925 2.306 1.184) 2.752 9.881 ( -10.163 -7.692 -4.759) 13.605 10.307 ( 5.089 -0.389 -1.244) 5.253 10.383 ( -5.869 -0.292 1.059) 5.971 10.521 ( 2.882 -1.070 7.275) 7.897 10.630 ( 0.082 0.170 -5.869) 5.872 10.911 ( 6.944 -4.969 -0.163) 8.540 11.058 ( -9.148 -5.800 0.354) 10.837 11.346 ( 2.257 6.700 2.792) 7.602 11.394 ( 0.287 4.202 -3.103) 5.231 11.653 ( 1.755 -0.258 1.369) 2.241 11.708 ( -3.482 -2.750 -0.726) 4.496 11.937 ( 2.842 -0.106 -1.024) 3.022 12.002 ( -4.002 -0.955 -1.243) 4.298 12.415 ( 1.652 6.208 0.471) 6.441 12.454 ( -3.411 4.068 1.910) 5.642 12.597 ( 2.674 -2.022 4.549) 5.651 12.703 ( -1.456 -1.045 -8.587) 8.773 13.259 ( 3.594 -2.064 2.049) 4.624 13.280 ( 4.261 -0.235 -0.947) 4.371 13.680 ( 5.007 0.083 -0.016) 5.007 13.815 ( -10.564 -1.274 2.136) 10.853 14.441 ( 7.292 -7.914 1.621) 10.883 14.634 ( -13.071 -9.687 -1.860) 16.376 16.334 ( 15.435 14.533 -0.299) 21.202 16.526 ( -8.074 14.561 1.917) 16.760 17.160 ( -3.386 -0.474 7.543) 8.282 17.183 ( 2.975 0.102 -6.943) 7.554 20.588 ( 1.142 0.449 4.589) 4.751 20.670 ( -1.503 0.266 -5.705) 5.906 21.167 ( 3.062 -0.873 2.543) 4.075 21.268 ( -3.621 -0.110 -3.930) 5.345 21.447 ( 1.572 -2.334 3.396) 4.410 21.553 ( -5.367 -0.000 -6.352) 8.315 22.636 ( 4.001 -1.634 5.912) 7.323 22.733 ( -1.853 -2.178 -3.747) 4.714 22.978 ( 5.734 -6.567 7.516) 11.511 23.146 ( -5.845 -6.881 -5.070) 10.355 23.323 ( 3.527 -3.310 3.402) 5.913 23.417 ( -3.009 -2.568 -3.685) 5.406 23.581 ( 0.798 1.273 1.823) 2.362 23.617 ( -1.550 0.435 -1.029) 1.911 23.944 ( 1.342 9.433 5.754) 11.131 24.007 ( 1.432 11.295 -6.216) 12.972 ======================= Grid point 222 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( -1.092 3.905 -0.656) 4.108 1.831 ( 1.092 3.905 0.656) 4.108 2.049 ( 6.814 -2.396 -14.530) 16.226 2.049 ( -6.814 -2.396 14.530) 16.226 2.464 ( -5.049 -4.875 -2.992) 7.630 2.464 ( 5.049 -4.875 2.992) 7.630 2.541 ( -3.576 0.591 -7.387) 8.228 2.541 ( 3.576 0.591 7.387) 8.228 2.927 ( -4.553 1.948 -6.678) 8.314 2.927 ( 4.553 1.948 6.678) 8.314 3.002 ( -0.404 -6.754 -10.221) 12.257 3.002 ( 0.404 -6.754 10.221) 12.257 3.245 ( -3.987 -4.037 -0.335) 5.684 3.245 ( 3.987 -4.037 0.335) 5.684 3.483 ( -6.920 4.728 -5.245) 9.887 3.483 ( 6.920 4.728 5.245) 9.887 3.677 ( -4.829 1.737 -4.163) 6.608 3.677 ( 4.829 1.737 4.163) 6.608 3.827 ( -1.028 0.805 -4.926) 5.096 3.827 ( 1.028 0.805 4.926) 5.096 4.316 ( 5.354 1.036 -5.700) 7.889 4.316 ( -5.354 1.036 5.700) 7.889 4.566 ( 3.087 -2.528 -5.027) 6.418 4.566 ( -3.087 -2.528 5.027) 6.418 4.897 ( -6.348 2.715 -7.751) 10.380 4.897 ( 6.348 2.715 7.751) 10.380 5.182 ( -4.490 0.235 -4.165) 6.128 5.182 ( 4.490 0.235 4.165) 6.128 5.347 ( -3.057 -2.942 -6.304) 7.598 5.347 ( 3.057 -2.942 6.304) 7.598 5.522 ( 3.945 3.022 -5.039) 7.077 5.522 ( -3.945 3.022 5.039) 7.077 5.681 ( -1.263 0.071 -5.415) 5.561 5.681 ( 1.263 0.071 5.415) 5.561 5.973 ( -6.645 3.813 -6.714) 10.187 5.973 ( 6.645 3.813 6.714) 10.187 6.298 ( 3.447 2.128 -3.762) 5.528 6.298 ( -3.447 2.128 3.762) 5.528 6.681 ( 0.148 -2.480 -5.590) 6.117 6.681 ( -0.148 -2.480 5.590) 6.117 7.469 ( -1.675 -1.122 -3.602) 4.127 7.469 ( 1.675 -1.122 3.602) 4.127 7.691 ( -2.912 3.604 -3.458) 5.781 7.691 ( 2.912 3.604 3.458) 5.781 7.990 ( -7.056 -0.843 -2.123) 7.417 7.990 ( 7.056 -0.843 2.123) 7.417 8.226 ( -4.550 -2.282 -2.659) 5.742 8.226 ( 4.550 -2.282 2.659) 5.742 9.181 ( -10.863 -3.460 -0.808) 11.429 9.181 ( 10.863 -3.460 0.808) 11.429 9.474 ( -7.298 5.578 -6.497) 11.251 9.474 ( 7.298 5.578 6.497) 11.251 9.899 ( -3.509 -6.942 -14.251) 16.235 9.899 ( 3.509 -6.942 14.251) 16.235 10.339 ( -4.292 1.553 0.319) 4.576 10.339 ( 4.292 1.553 -0.319) 4.576 10.566 ( -1.868 1.107 -5.709) 6.108 10.566 ( 1.868 1.107 5.709) 6.108 11.017 ( -3.361 1.997 -5.129) 6.449 11.017 ( 3.361 1.997 5.129) 6.449 11.344 ( -0.890 -1.832 -6.205) 6.531 11.344 ( 0.890 -1.832 6.205) 6.531 11.712 ( -4.361 -1.760 -1.457) 4.923 11.712 ( 4.361 -1.760 1.457) 4.923 11.974 ( -1.024 -0.933 -4.118) 4.345 11.974 ( 1.024 -0.933 4.118) 4.345 12.364 ( -2.320 1.642 -3.082) 4.192 12.364 ( 2.320 1.642 3.082) 4.192 12.737 ( -0.124 -7.223 -7.438) 10.369 12.737 ( 0.124 -7.223 7.438) 10.369 13.288 ( 1.764 1.334 -2.346) 3.224 13.288 ( -1.764 1.334 2.346) 3.224 13.739 ( -9.631 0.438 0.436) 9.651 13.739 ( 9.631 0.438 -0.436) 9.651 14.655 ( -7.099 -5.192 -5.712) 10.487 14.655 ( 7.099 -5.192 5.712) 10.487 16.215 ( 0.587 9.975 -9.459) 13.760 16.215 ( -0.587 9.975 9.459) 13.760 17.163 ( 3.798 1.142 -7.006) 8.050 17.163 ( -3.798 1.142 7.006) 8.050 20.642 ( 1.509 -1.785 -7.668) 8.017 20.642 ( -1.509 -1.785 7.668) 8.017 21.210 ( -3.012 1.007 -3.035) 4.393 21.210 ( 3.012 1.007 3.035) 4.393 21.528 ( -2.982 -3.243 -4.271) 6.136 21.528 ( 2.982 -3.243 4.271) 6.136 22.713 ( 0.520 -0.159 -7.689) 7.708 22.713 ( -0.520 -0.159 7.689) 7.708 23.162 ( -4.057 -2.939 -5.378) 7.350 23.162 ( 4.057 -2.939 5.378) 7.350 23.417 ( -1.754 -2.185 -3.094) 4.174 23.417 ( 1.754 -2.185 3.094) 4.174 23.581 ( -2.559 0.711 -1.837) 3.230 23.581 ( 2.559 0.711 1.837) 3.230 23.809 ( 0.432 7.530 -2.924) 8.089 23.809 ( -0.432 7.530 2.924) 8.089 ======================= Grid point 228 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.798 ( 9.326 0.000 5.713) 10.937 1.111 ( -3.140 -0.000 -3.870) 4.983 1.295 ( 19.754 0.000 -2.154) 19.871 1.818 ( -4.395 -0.000 1.091) 4.528 1.979 ( -2.186 -0.000 -11.045) 11.259 2.136 ( 1.573 0.000 -8.570) 8.713 2.281 ( -8.734 -0.000 -2.271) 9.024 2.308 ( 7.638 0.000 -1.156) 7.725 2.535 ( 2.906 0.000 11.399) 11.764 2.672 ( 5.737 0.000 -4.975) 7.594 2.852 ( -10.658 -0.000 1.742) 10.800 2.889 ( 2.460 0.000 -3.769) 4.501 3.215 ( -1.141 -0.000 5.415) 5.534 3.283 ( -3.229 -0.000 -4.937) 5.899 3.298 ( -3.226 -0.000 4.586) 5.607 3.501 ( -0.083 -0.000 -3.599) 3.600 3.567 ( 5.136 0.000 -4.727) 6.980 3.752 ( -4.292 -0.000 -5.950) 7.337 3.957 ( 4.106 0.000 4.193) 5.868 3.982 ( 5.852 0.000 6.382) 8.659 4.050 ( -0.515 -0.000 3.978) 4.011 4.246 ( -8.057 -0.000 3.416) 8.751 4.359 ( 2.362 0.000 -2.368) 3.345 4.616 ( -9.046 -0.000 -1.681) 9.201 4.863 ( -1.793 -0.000 -3.463) 3.900 4.967 ( -6.952 -0.000 -0.044) 6.952 5.214 ( 1.145 0.000 4.204) 4.357 5.284 ( 6.856 0.000 -8.753) 11.118 5.432 ( 1.170 0.000 9.662) 9.732 5.471 ( -0.545 -0.000 1.335) 1.442 5.582 ( 3.040 0.000 -0.561) 3.091 5.600 ( -5.605 -0.000 -5.245) 7.676 5.825 ( 6.371 0.000 9.699) 11.604 5.873 ( 6.624 0.000 0.748) 6.666 5.993 ( 5.518 0.000 -0.546) 5.545 6.162 ( -6.060 -0.000 1.827) 6.329 6.360 ( 1.817 0.000 -9.918) 10.083 6.444 ( 7.408 0.000 12.896) 14.873 6.497 ( -8.649 -0.000 3.917) 9.494 6.765 ( 6.057 0.000 -10.423) 12.055 7.654 ( 3.693 0.000 2.961) 4.734 7.655 ( 2.621 0.000 0.644) 2.699 7.803 ( -5.353 -0.000 3.186) 6.229 7.843 ( -4.323 -0.000 -6.644) 7.926 7.902 ( 4.629 0.000 -1.106) 4.760 7.931 ( 4.478 0.000 3.199) 5.503 8.170 ( 1.606 0.000 3.151) 3.537 8.405 ( -1.813 -0.000 -2.368) 2.982 8.843 ( -10.186 -0.000 8.034) 12.973 8.885 ( -5.597 -0.000 -0.836) 5.659 9.135 ( -9.145 -0.000 -1.118) 9.213 9.248 ( -3.615 -0.000 -21.106) 21.413 9.869 ( 7.577 0.000 -0.723) 7.611 10.058 ( -1.456 -0.000 2.455) 2.854 10.312 ( -0.259 -0.000 7.861) 7.865 10.364 ( 2.809 0.000 -3.775) 4.705 10.409 ( -0.064 -0.000 -0.386) 0.391 10.469 ( 3.879 0.000 0.148) 3.882 10.725 ( -8.180 -0.000 -20.071) 21.674 10.776 ( -9.193 -0.000 4.307) 10.152 11.567 ( -1.902 -0.000 12.295) 12.441 11.648 ( 7.895 0.000 -0.926) 7.949 11.685 ( 1.157 0.000 0.275) 1.190 11.701 ( 0.662 0.000 5.847) 5.884 12.104 ( -1.933 -0.000 -0.659) 2.042 12.126 ( 5.701 0.000 -13.374) 14.538 12.596 ( 6.372 0.000 -8.881) 10.930 12.606 ( 0.066 0.000 4.898) 4.899 12.742 ( -5.341 -0.000 10.106) 11.431 12.854 ( -2.126 -0.000 -5.705) 6.088 13.152 ( 2.748 0.000 -1.910) 3.347 13.286 ( -0.536 -0.000 2.875) 2.925 13.572 ( 7.371 0.000 3.684) 8.240 13.747 ( -5.763 -0.000 -0.572) 5.791 14.042 ( -5.715 -0.000 -0.673) 5.754 14.160 ( -11.261 -0.000 -0.430) 11.270 16.765 ( 20.953 0.000 -0.100) 20.954 17.038 ( -2.195 -0.000 7.492) 7.807 17.152 ( 6.730 0.000 -6.879) 9.623 17.342 ( -9.572 -0.000 14.827) 17.648 20.625 ( -2.942 -0.000 8.343) 8.847 20.841 ( 0.144 0.000 -11.074) 11.075 21.138 ( -1.324 -0.000 -3.680) 3.911 21.239 ( -4.953 -0.000 -5.811) 7.635 21.497 ( -3.431 -0.000 3.243) 4.721 21.511 ( -3.147 -0.000 -13.218) 13.587 22.508 ( 4.928 0.000 3.672) 6.146 22.594 ( 1.383 0.000 3.697) 3.947 22.646 ( -2.866 -0.000 8.901) 9.350 22.836 ( -1.399 -0.000 -2.479) 2.846 23.168 ( 4.035 0.000 -2.160) 4.576 23.347 ( -3.356 -0.000 -2.999) 4.501 23.620 ( -0.417 -0.000 1.659) 1.711 23.633 ( -0.055 -0.000 0.098) 0.113 24.285 ( 1.075 0.000 22.029) 22.055 24.467 ( 9.899 0.000 -14.196) 17.307 ======================= Grid point 229 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 5.474 -16.717 8.497) 19.535 1.253 ( -2.794 -16.825 -10.577) 20.069 1.571 ( 18.062 -9.403 5.215) 21.020 1.917 ( -9.064 -8.079 -6.430) 13.740 1.973 ( -1.853 -11.370 -0.534) 11.533 2.093 ( -6.736 -10.611 -7.464) 14.617 2.297 ( 4.143 1.152 3.405) 5.485 2.336 ( 3.911 0.820 -2.515) 4.722 2.656 ( 2.604 -1.250 -0.468) 2.926 2.678 ( 2.005 -0.617 4.119) 4.622 2.758 ( -4.015 -0.477 4.477) 6.033 2.928 ( -7.535 -2.230 -6.755) 10.362 3.189 ( -1.085 -1.072 2.398) 2.843 3.202 ( 0.619 0.331 1.135) 1.334 3.418 ( 0.769 -5.231 1.582) 5.519 3.492 ( -0.508 2.095 -2.095) 3.006 3.629 ( 6.089 -5.928 -3.661) 9.253 3.742 ( -5.689 -6.092 -3.637) 9.094 3.944 ( 2.456 5.280 2.670) 6.406 4.000 ( -1.241 6.023 -0.457) 6.167 4.095 ( 6.925 -2.198 3.502) 8.065 4.197 ( -3.724 -0.369 2.855) 4.707 4.396 ( 3.054 -1.147 -0.117) 3.265 4.528 ( -9.435 -0.130 -2.768) 9.833 4.829 ( 1.503 0.658 -0.536) 1.726 4.915 ( -6.036 -1.064 -2.050) 6.462 5.208 ( 2.491 4.046 4.645) 6.645 5.275 ( 1.964 1.115 -5.564) 6.005 5.436 ( -2.446 3.134 5.033) 6.414 5.491 ( -1.294 -0.847 -7.483) 7.641 5.544 ( 1.570 -1.496 5.149) 5.587 5.605 ( -1.585 0.379 -1.189) 2.017 5.850 ( 5.882 5.494 6.514) 10.354 5.930 ( 2.335 7.179 -1.131) 7.633 5.984 ( 12.222 0.189 5.095) 13.243 6.191 ( -3.748 -4.936 -0.327) 6.206 6.353 ( -9.463 3.526 2.443) 10.390 6.384 ( -2.844 -4.371 -8.258) 9.767 6.559 ( 6.411 2.959 13.127) 14.906 6.740 ( 0.601 1.028 -11.233) 11.296 7.687 ( 4.080 -1.577 -0.106) 4.376 7.692 ( 0.197 4.375 0.674) 4.432 7.725 ( -1.648 3.797 2.280) 4.726 7.793 ( -3.369 -3.835 -2.558) 5.710 7.965 ( 3.661 -0.846 0.424) 3.781 8.002 ( 0.535 -2.104 0.554) 2.241 8.190 ( 4.035 2.090 4.703) 6.539 8.338 ( -5.282 2.162 -4.709) 7.400 8.851 ( 0.850 -4.656 7.408) 8.791 8.927 ( -1.146 -6.498 -1.523) 6.772 9.112 ( -9.367 -4.432 7.892) 13.026 9.222 ( -3.486 -10.683 -20.774) 23.619 9.902 ( 6.869 3.233 0.946) 7.651 10.006 ( -3.766 3.678 -0.039) 5.264 10.318 ( 0.583 2.349 1.337) 2.765 10.345 ( -0.603 0.539 0.138) 0.821 10.438 ( -0.113 -2.945 6.154) 6.823 10.574 ( 6.287 -1.989 -3.232) 7.344 10.638 ( -0.170 -7.138 -13.539) 15.307 10.766 ( -11.450 -5.642 3.844) 13.330 11.601 ( -1.475 1.476 8.833) 9.076 11.633 ( 3.301 4.000 -2.696) 5.845 11.681 ( 3.782 3.290 1.044) 5.120 11.726 ( -1.208 1.844 3.111) 3.813 12.019 ( 6.915 5.800 -8.825) 12.623 12.061 ( -4.006 3.323 1.215) 5.345 12.566 ( 5.325 3.179 -6.755) 9.170 12.609 ( -5.961 2.844 3.128) 7.308 12.714 ( -0.281 2.508 8.198) 8.578 12.815 ( -2.068 2.264 -8.024) 8.590 13.155 ( 5.534 0.603 2.937) 6.294 13.246 ( -1.763 1.229 -0.285) 2.168 13.670 ( 3.172 -1.159 2.764) 4.364 13.735 ( -3.900 -2.733 -0.511) 4.790 14.081 ( 1.747 -8.224 0.883) 8.454 14.202 ( -10.041 -11.455 -1.475) 15.304 16.839 ( 18.740 9.099 -1.345) 20.876 17.032 ( -7.675 4.152 6.300) 10.763 17.163 ( 5.507 1.328 -5.318) 7.770 17.218 ( -8.879 6.065 7.097) 12.883 20.641 ( -2.137 1.293 9.829) 10.141 20.743 ( 0.572 2.780 -12.626) 12.941 21.124 ( 0.781 -0.610 -0.214) 1.014 21.192 ( -4.219 -2.353 -4.841) 6.839 21.433 ( 3.396 1.295 1.803) 4.057 21.536 ( -5.524 -2.640 -4.961) 7.880 22.564 ( 3.324 -1.067 4.157) 5.429 22.629 ( -1.187 -2.472 -1.644) 3.198 22.736 ( 1.697 -4.643 9.497) 10.706 22.858 ( -2.897 -5.883 -5.076) 8.293 23.220 ( 4.504 -1.866 1.157) 5.011 23.319 ( -3.815 -1.906 -3.248) 5.361 23.617 ( 0.075 0.692 1.375) 1.541 23.631 ( -0.376 0.172 -0.474) 0.629 24.308 ( -1.778 7.624 17.285) 18.976 24.397 ( 6.732 7.118 -14.116) 17.183 ======================= Grid point 230 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -3.190 -17.138 -8.749) 19.505 1.490 ( 3.190 -17.138 8.749) 19.505 1.953 ( -7.751 -12.975 -9.446) 17.823 1.953 ( 7.751 -12.975 9.446) 17.823 2.189 ( 5.195 -1.234 -4.768) 7.158 2.189 ( -5.195 -1.234 4.768) 7.158 2.381 ( 2.406 -9.540 -4.184) 10.692 2.381 ( -2.406 -9.540 4.184) 10.692 2.703 ( 0.807 -3.248 -7.320) 8.049 2.703 ( -0.807 -3.248 7.320) 8.049 2.857 ( -3.387 -3.540 -8.336) 9.669 2.857 ( 3.387 -3.540 8.336) 9.669 3.233 ( -1.890 -0.079 -4.240) 4.643 3.233 ( 1.890 -0.079 4.240) 4.643 3.496 ( -4.010 -4.827 -1.198) 6.389 3.496 ( 4.010 -4.827 1.198) 6.389 3.764 ( -2.716 0.781 -6.708) 7.279 3.764 ( 2.716 0.781 6.708) 7.279 3.855 ( 2.862 4.280 -7.206) 8.856 3.855 ( -2.862 4.280 7.206) 8.856 4.215 ( -3.654 -4.183 -1.865) 5.859 4.215 ( 3.654 -4.183 1.865) 5.859 4.464 ( -6.995 -2.016 -0.777) 7.321 4.464 ( 6.995 -2.016 0.777) 7.321 4.884 ( -5.816 -2.194 -3.474) 7.120 4.884 ( 5.816 -2.194 3.474) 7.120 5.185 ( -3.064 3.632 -6.423) 7.990 5.185 ( 3.064 3.632 6.423) 7.990 5.425 ( -1.536 1.451 -7.321) 7.620 5.425 ( 1.536 1.451 7.321) 7.620 5.594 ( 4.838 -0.120 -6.516) 8.116 5.594 ( -4.838 -0.120 6.516) 8.116 5.785 ( -2.041 6.670 -3.337) 7.732 5.785 ( 2.041 6.670 3.337) 7.732 6.099 ( -12.669 3.237 -5.049) 14.017 6.099 ( 12.669 3.237 5.049) 14.017 6.369 ( -3.744 -1.795 -6.877) 8.033 6.369 ( 3.744 -1.795 6.877) 8.033 6.629 ( -4.231 0.976 -9.934) 10.841 6.629 ( 4.231 0.976 9.934) 10.841 7.590 ( 1.141 6.304 -4.215) 7.669 7.590 ( -1.141 6.304 4.215) 7.669 7.813 ( -4.391 -1.840 -1.513) 4.996 7.813 ( 4.391 -1.840 1.513) 4.996 7.978 ( -1.920 2.033 -0.658) 2.873 7.978 ( 1.920 2.033 0.658) 2.873 8.217 ( -5.681 2.125 -4.280) 7.424 8.217 ( 5.681 2.125 4.280) 7.424 9.033 ( -5.283 -6.256 -5.183) 9.691 9.033 ( 5.283 -6.256 5.183) 9.691 9.314 ( -2.165 -13.116 -21.244) 25.060 9.314 ( 2.165 -13.116 21.244) 25.060 9.870 ( -3.619 5.968 -3.273) 7.709 9.870 ( 3.619 5.968 3.273) 7.709 10.325 ( -2.555 -0.852 -0.509) 2.741 10.325 ( 2.555 -0.852 0.509) 2.741 10.559 ( -1.792 -2.369 -10.574) 10.984 10.559 ( 1.792 -2.369 10.574) 10.984 10.827 ( 3.251 -8.870 -3.976) 10.250 10.827 ( -3.251 -8.870 3.976) 10.250 11.524 ( 0.905 8.486 -2.300) 8.839 11.524 ( -0.905 8.486 2.300) 8.839 11.672 ( 0.420 0.896 -5.762) 5.847 11.672 ( -0.420 0.896 5.762) 5.847 11.974 ( 5.102 1.808 -4.883) 7.290 11.974 ( -5.102 1.808 4.883) 7.290 12.516 ( 3.945 3.718 -5.522) 7.738 12.516 ( -3.945 3.718 5.522) 7.738 12.680 ( -1.169 4.659 -7.754) 9.121 12.680 ( 1.169 4.659 7.754) 9.121 13.243 ( -1.458 -2.964 -2.830) 4.350 13.243 ( 1.458 -2.964 2.830) 4.350 13.726 ( -3.423 -0.916 -1.514) 3.853 13.726 ( 3.423 -0.916 1.514) 3.853 14.335 ( -4.749 -11.485 -4.645) 13.268 14.335 ( 4.749 -11.485 4.645) 13.268 16.738 ( -4.536 15.504 -3.247) 16.477 16.738 ( 4.536 15.504 3.247) 16.477 17.166 ( 3.264 -0.177 -7.631) 8.301 17.166 ( -3.264 -0.177 7.631) 8.301 20.647 ( 2.146 1.812 -10.397) 10.770 20.647 ( -2.146 1.812 10.397) 10.770 21.183 ( -3.696 -2.248 -3.694) 5.689 21.183 ( 3.696 -2.248 3.694) 5.689 21.481 ( -3.815 -0.045 -5.930) 7.052 21.481 ( 3.815 -0.045 5.930) 7.052 22.647 ( -0.200 -2.637 -6.294) 6.827 22.647 ( 0.200 -2.637 6.294) 6.827 22.926 ( -4.332 -7.715 -7.269) 11.451 22.926 ( 4.332 -7.715 7.269) 11.451 23.315 ( -3.790 -2.968 -3.441) 5.917 23.315 ( 3.790 -2.968 3.441) 5.917 23.614 ( -0.604 0.736 -1.300) 1.611 23.614 ( 0.604 0.736 1.300) 1.611 24.188 ( 2.450 11.139 -11.927) 16.503 24.188 ( -2.450 11.139 11.927) 16.503 ======================= Grid point 239 (114/114) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.001 ( -5.423 -0.000 -5.935) 8.040 1.001 ( 5.423 0.000 5.935) 8.040 1.716 ( -20.672 -0.000 -8.051) 22.184 1.716 ( 20.672 0.000 8.051) 22.184 1.834 ( 0.566 0.000 -4.657) 4.691 1.834 ( -0.566 -0.000 4.657) 4.691 2.347 ( -2.719 -0.000 0.215) 2.727 2.347 ( 2.719 0.000 -0.215) 2.727 2.723 ( 4.941 0.000 -5.098) 7.099 2.723 ( -4.941 -0.000 5.098) 7.099 2.768 ( -6.749 -0.000 -8.065) 10.517 2.768 ( 6.749 0.000 8.065) 10.517 3.184 ( -1.833 -0.000 -2.543) 3.135 3.184 ( 1.833 0.000 2.543) 3.135 3.472 ( -6.791 -0.000 -10.119) 12.187 3.472 ( 6.791 0.000 10.119) 12.187 3.588 ( -4.841 -0.000 -5.701) 7.479 3.588 ( 4.841 0.000 5.701) 7.479 4.037 ( 4.086 0.000 -2.128) 4.607 4.037 ( -4.086 -0.000 2.128) 4.607 4.147 ( 9.461 0.000 -3.557) 10.107 4.147 ( -9.460 -0.000 3.557) 10.107 4.445 ( -7.549 -0.000 -2.986) 8.118 4.445 ( 7.549 0.000 2.986) 8.118 4.853 ( -3.747 -0.000 -1.132) 3.915 4.853 ( 3.747 0.000 1.132) 3.915 5.281 ( 1.834 0.000 -5.982) 6.257 5.281 ( -1.834 -0.000 5.982) 6.257 5.455 ( 3.759 0.000 -3.381) 5.056 5.455 ( -3.759 -0.000 3.381) 5.056 5.579 ( -2.044 -0.000 -2.073) 2.911 5.579 ( 2.044 0.000 2.073) 2.911 6.016 ( -3.254 -0.000 -4.630) 5.659 6.016 ( 3.254 0.000 4.630) 5.659 6.050 ( -7.727 -0.000 -3.000) 8.289 6.050 ( 7.727 0.000 3.000) 8.289 6.327 ( 8.638 0.000 -5.672) 10.334 6.327 ( -8.638 -0.000 5.672) 10.334 6.695 ( -0.547 -0.000 -13.409) 13.421 6.695 ( 0.547 0.000 13.409) 13.421 7.690 ( -2.172 -0.000 0.667) 2.272 7.690 ( 2.172 0.000 -0.667) 2.272 7.769 ( 3.272 0.000 -4.158) 5.291 7.769 ( -3.272 -0.000 4.158) 5.291 7.965 ( 3.575 0.000 -1.558) 3.900 7.965 ( -3.575 -0.000 1.558) 3.900 8.286 ( -5.444 -0.000 -6.455) 8.444 8.286 ( 5.444 0.000 6.455) 8.444 8.831 ( 2.737 0.000 -1.634) 3.187 8.831 ( -2.737 -0.000 1.634) 3.187 9.055 ( 6.659 0.000 -15.616) 16.977 9.055 ( -6.659 -0.000 15.616) 16.977 9.992 ( -6.970 -0.000 0.395) 6.981 9.992 ( 6.970 0.000 -0.395) 6.981 10.369 ( 3.167 0.000 -3.587) 4.785 10.369 ( -3.167 -0.000 3.587) 4.785 10.453 ( -3.199 -0.000 -14.210) 14.565 10.453 ( 3.199 0.000 14.210) 14.565 10.630 ( -11.750 -0.000 2.206) 11.955 10.630 ( 11.750 0.000 -2.206) 11.955 11.643 ( 1.735 0.000 -7.644) 7.839 11.643 ( -1.735 -0.000 7.644) 7.839 11.752 ( 3.103 0.000 -4.413) 5.394 11.752 ( -3.103 -0.000 4.413) 5.394 12.087 ( 4.088 0.000 -8.157) 9.125 12.087 ( -4.088 -0.000 8.157) 9.125 12.614 ( 5.368 0.000 -6.441) 8.384 12.614 ( -5.368 -0.000 6.441) 8.384 12.773 ( 0.599 0.000 -6.672) 6.699 12.773 ( -0.599 -0.000 6.672) 6.699 13.239 ( -6.284 -0.000 0.156) 6.286 13.239 ( 6.284 0.000 -0.156) 6.286 13.683 ( -2.114 -0.000 -1.784) 2.767 13.683 ( 2.114 0.000 1.784) 2.767 14.016 ( -3.410 -0.000 -1.433) 3.699 14.016 ( 3.410 0.000 1.433) 3.699 17.027 ( 10.010 0.000 -4.911) 11.150 17.027 ( -10.010 -0.000 4.911) 11.150 17.225 ( 12.988 0.000 -7.120) 14.812 17.225 ( -12.988 -0.000 7.120) 14.812 20.704 ( 1.112 0.000 -13.457) 13.503 20.704 ( -1.112 -0.000 13.457) 13.503 21.127 ( -1.836 -0.000 -1.357) 2.282 21.127 ( 1.836 0.000 1.357) 2.282 21.470 ( 3.721 0.000 -3.776) 5.301 21.470 ( -3.721 -0.000 3.776) 5.301 22.588 ( -2.887 -0.000 0.483) 2.927 22.588 ( 2.887 0.000 -0.483) 2.927 22.749 ( -1.785 -0.000 -7.878) 8.078 22.749 ( 1.785 0.000 7.878) 8.078 23.250 ( -4.452 -0.000 -2.507) 5.109 23.250 ( 4.452 0.000 2.507) 5.109 23.629 ( 0.041 0.000 -0.779) 0.780 23.629 ( -0.041 -0.000 0.779) 0.780 24.440 ( 6.500 0.000 -17.812) 18.960 24.440 ( -6.500 -0.000 17.812) 18.960 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/36864 10.0 497.271 255.411 364.529 0.000 -20.069 0.000 3/36864 20.0 94.758 83.185 82.658 0.000 0.272 0.000 3/36864 30.0 41.729 42.577 38.280 0.000 0.650 0.000 3/36864 40.0 24.802 26.774 23.489 0.000 0.604 0.000 3/36864 50.0 17.070 18.852 16.480 0.000 0.524 0.000 3/36864 60.0 12.818 14.279 12.518 0.000 0.451 0.000 3/36864 70.0 10.188 11.376 10.020 0.000 0.389 0.000 3/36864 80.0 8.423 9.399 8.322 0.000 0.339 0.000 3/36864 90.0 7.168 7.981 7.103 0.000 0.297 0.000 3/36864 100.0 6.234 6.922 6.189 0.000 0.263 0.000 3/36864 110.0 5.517 6.106 5.483 0.000 0.235 0.000 3/36864 120.0 4.949 5.459 4.921 0.000 0.211 0.000 3/36864 130.0 4.490 4.936 4.465 0.000 0.192 0.000 3/36864 140.0 4.112 4.505 4.088 0.000 0.175 0.000 3/36864 150.0 3.796 4.144 3.771 0.000 0.161 0.000 3/36864 160.0 3.527 3.837 3.501 0.000 0.148 0.000 3/36864 170.0 3.296 3.574 3.269 0.000 0.138 0.000 3/36864 180.0 3.095 3.346 3.067 0.000 0.129 0.000 3/36864 190.0 2.918 3.146 2.889 0.000 0.121 0.000 3/36864 200.0 2.762 2.969 2.731 0.000 0.114 0.000 3/36864 210.0 2.623 2.812 2.591 0.000 0.108 0.000 3/36864 220.0 2.498 2.671 2.465 0.000 0.102 0.000 3/36864 230.0 2.385 2.544 2.351 0.000 0.097 0.000 3/36864 240.0 2.283 2.429 2.248 0.000 0.093 0.000 3/36864 250.0 2.190 2.325 2.154 0.000 0.089 0.000 3/36864 260.0 2.104 2.229 2.068 0.000 0.085 0.000 3/36864 270.0 2.025 2.142 1.988 0.000 0.082 0.000 3/36864 280.0 1.953 2.061 1.915 0.000 0.079 0.000 3/36864 290.0 1.885 1.986 1.847 0.000 0.076 0.000 3/36864 300.0 1.822 1.917 1.784 0.000 0.074 0.000 3/36864 310.0 1.764 1.852 1.726 0.000 0.072 0.000 3/36864 320.0 1.709 1.792 1.671 0.000 0.069 0.000 3/36864 330.0 1.658 1.736 1.620 0.000 0.067 0.000 3/36864 340.0 1.610 1.683 1.571 0.000 0.065 0.000 3/36864 350.0 1.564 1.634 1.526 0.000 0.064 0.000 3/36864 360.0 1.521 1.587 1.483 0.000 0.062 0.000 3/36864 370.0 1.481 1.543 1.443 0.000 0.060 0.000 3/36864 380.0 1.443 1.502 1.405 0.000 0.059 0.000 3/36864 390.0 1.406 1.463 1.369 0.000 0.058 0.000 3/36864 400.0 1.372 1.425 1.335 0.000 0.056 0.000 3/36864 410.0 1.339 1.390 1.302 0.000 0.055 0.000 3/36864 420.0 1.308 1.356 1.271 0.000 0.054 0.000 3/36864 430.0 1.278 1.324 1.241 0.000 0.053 0.000 3/36864 440.0 1.249 1.294 1.213 0.000 0.051 0.000 3/36864 450.0 1.222 1.265 1.186 0.000 0.050 0.000 3/36864 460.0 1.196 1.237 1.161 0.000 0.049 0.000 3/36864 470.0 1.171 1.211 1.136 0.000 0.048 0.000 3/36864 480.0 1.147 1.185 1.113 0.000 0.047 0.000 3/36864 490.0 1.124 1.161 1.090 0.000 0.047 0.000 3/36864 500.0 1.102 1.137 1.068 0.000 0.046 0.000 3/36864 510.0 1.081 1.115 1.047 0.000 0.045 0.000 3/36864 520.0 1.061 1.093 1.027 0.000 0.044 0.000 3/36864 530.0 1.041 1.073 1.008 0.000 0.043 0.000 3/36864 540.0 1.022 1.053 0.989 0.000 0.043 0.000 3/36864 550.0 1.004 1.033 0.972 0.000 0.042 0.000 3/36864 560.0 0.986 1.015 0.954 0.000 0.041 0.000 3/36864 570.0 0.969 0.997 0.938 0.000 0.041 0.000 3/36864 580.0 0.953 0.980 0.922 0.000 0.040 0.000 3/36864 590.0 0.937 0.963 0.906 0.000 0.039 0.000 3/36864 600.0 0.922 0.947 0.891 0.000 0.039 0.000 3/36864 610.0 0.907 0.931 0.877 0.000 0.038 0.000 3/36864 620.0 0.893 0.916 0.863 0.000 0.037 0.000 3/36864 630.0 0.879 0.902 0.849 0.000 0.037 0.000 3/36864 640.0 0.865 0.888 0.836 0.000 0.036 0.000 3/36864 650.0 0.852 0.874 0.823 0.000 0.036 0.000 3/36864 660.0 0.839 0.861 0.811 0.000 0.035 0.000 3/36864 670.0 0.827 0.848 0.799 0.000 0.035 0.000 3/36864 680.0 0.815 0.835 0.787 0.000 0.034 0.000 3/36864 690.0 0.803 0.823 0.776 0.000 0.034 0.000 3/36864 700.0 0.792 0.811 0.764 0.000 0.033 0.000 3/36864 710.0 0.781 0.800 0.754 0.000 0.033 0.000 3/36864 720.0 0.770 0.789 0.743 0.000 0.033 0.000 3/36864 730.0 0.760 0.778 0.733 0.000 0.032 0.000 3/36864 740.0 0.750 0.768 0.723 0.000 0.032 0.000 3/36864 750.0 0.740 0.757 0.714 0.000 0.031 0.000 3/36864 760.0 0.731 0.747 0.704 0.000 0.031 0.000 3/36864 770.0 0.721 0.738 0.695 0.000 0.031 0.000 3/36864 780.0 0.712 0.728 0.687 0.000 0.030 0.000 3/36864 790.0 0.703 0.719 0.678 0.000 0.030 0.000 3/36864 800.0 0.694 0.710 0.669 0.000 0.029 0.000 3/36864 810.0 0.686 0.701 0.661 0.000 0.029 0.000 3/36864 820.0 0.678 0.693 0.653 0.000 0.029 0.000 3/36864 830.0 0.670 0.684 0.645 0.000 0.028 0.000 3/36864 840.0 0.662 0.676 0.638 0.000 0.028 0.000 3/36864 850.0 0.654 0.668 0.630 0.000 0.028 0.000 3/36864 860.0 0.647 0.660 0.623 0.000 0.028 0.000 3/36864 870.0 0.639 0.653 0.616 0.000 0.027 0.000 3/36864 880.0 0.632 0.645 0.609 0.000 0.027 0.000 3/36864 890.0 0.625 0.638 0.602 0.000 0.027 0.000 3/36864 900.0 0.618 0.631 0.595 0.000 0.026 0.000 3/36864 910.0 0.611 0.624 0.589 0.000 0.026 0.000 3/36864 920.0 0.605 0.617 0.583 0.000 0.026 0.000 3/36864 930.0 0.598 0.611 0.576 0.000 0.026 0.000 3/36864 940.0 0.592 0.604 0.570 0.000 0.025 0.000 3/36864 950.0 0.586 0.598 0.564 0.000 0.025 0.000 3/36864 960.0 0.580 0.592 0.558 0.000 0.025 0.000 3/36864 970.0 0.574 0.586 0.553 0.000 0.025 0.000 3/36864 980.0 0.568 0.580 0.547 0.000 0.024 0.000 3/36864 990.0 0.563 0.574 0.542 0.000 0.024 0.000 3/36864 1000.0 0.557 0.568 0.536 0.000 0.024 0.000 3/36864 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:25:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|